N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate

C227H254Cl14N36O19 — CID 157325304

IUPACN-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate
SMILESCCOC(=O)Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4c(Cl)cc(CN5CCCCC5)cc4Cl)CC3)cc2)c1.CN1CCN(C(=O)Cc2cc(Cl)c(NC(=O)N3CCN(c4ccc(NC(=O)c5cccc(N6CCCC6)c5)cc4)CC3)c(Cl)c2)CC1.COC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Cc4c(Cl)cc(CN5CCCC5)cc4Cl)CC3)cc2)c1.Cc1cc(Cl)c(CC(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N5CCCC5)c4)cc3)CC2)c(Cl)n1.O=C(Cc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Nc3c(Cl)cc(CN4CCCC4)cc3Cl)CC2)cc1.O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1.O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Nc3c(Cl)cc(CCN4CCCC4)cc3Cl)CC2)cc1
InChIInChI=1S/C35H41Cl2N7O3.C34H40Cl2N6O2.C34H39Cl2N5O4.C34H39Cl2N5O2.C32H34Cl2N4O4.C29H31Cl2N5O2.C29H30Cl2N4O2/c1-40-13-15-43(16-14-40)32(45)23-25-21-30(36)33(31(37)22-25)39-35(47)44-19-17-42(18-20-44)28-9-7-27(8-10-28)38-34(46)26-5-4-6-29(24-26)41-11-2-3-12-41;35-30-22-25(12-17-39-13-1-2-14-39)23-31(36)32(30)38-34(44)42-20-18-41(19-21-42)28-10-8-26(9-11-28)33(43)37-27-6-5-7-29(24-27)40-15-3-4-16-40;1-2-45-31(42)22-24-7-6-8-26(19-24)33(43)37-27-9-11-28(12-10-27)40-15-17-41(18-16-40)34(44)38-32-29(35)20-25(21-30(32)36)23-39-13-4-3-5-14-39;35-30-21-26(24-38-12-1-2-13-38)22-31(36)33(30)37-34(43)41-18-16-40(17-19-41)28-10-8-27(9-11-28)32(42)23-25-6-5-7-29(20-25)39-14-3-4-15-39;1-42-32(41)24-6-4-5-23(19-24)31(40)35-25-7-9-26(10-8-25)37-13-15-38(16-14-37)30(39)20-27-28(33)17-22(18-29(27)34)21-36-11-2-3-12-36;1-20-17-26(30)25(28(31)32-20)19-27(37)36-15-13-35(14-16-36)23-9-7-21(8-10-23)29(38)33-22-5-4-6-24(18-22)34-11-2-3-12-34;30-26-7-4-8-27(31)25(26)20-28(36)35-17-15-34(16-18-35)23-11-9-21(10-12-23)29(37)32-22-5-3-6-24(19-22)33-13-1-2-14-33/h4-10,21-22,24H,2-3,11-20,23H2,1H3,(H,38,46)(H,39,47);5-11,22-24H,1-4,12-21H2,(H,37,43)(H,38,44);6-12,19-21H,2-5,13-18,22-23H2,1H3,(H,37,43)(H,38,44);5-11,20-22H,1-4,12-19,23-24H2,(H,37,43);4-10,17-19H,2-3,11-16,20-21H2,1H3,(H,35,40);4-10,17-18H,2-3,11-16,19H2,1H3,(H,33,38);3-12,19H,1-2,13-18,20H2,(H,32,37)
InChIKeyBEQLTLMFUQLPBF-UHFFFAOYSA-N
MW4287.10 g/mol
LogP42.71
Rot. Bonds52

About N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate

N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate (PubChem CID 157325304) has the molecular formula C227H254Cl14N36O19 and a molecular weight of 4287.10 g/mol. Its IUPAC name is N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate.

Molecular Properties

Compound NameN-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate
PubChem CID157325304
Molecular FormulaC227H254Cl14N36O19
Molecular Weight4287.10 g/mol
Exact Mass4277.57
IUPAC NameN-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate
SMILESCCOC(=O)Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4c(Cl)cc(CN5CCCCC5)cc4Cl)CC3)cc2)c1.CN1CCN(C(=O)Cc2cc(Cl)c(NC(=O)N3CCN(c4ccc(NC(=O)c5cccc(N6CCCC6)c5)cc4)CC3)c(Cl)c2)CC1.COC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Cc4c(Cl)cc(CN5CCCC5)cc4Cl)CC3)cc2)c1.Cc1cc(Cl)c(CC(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N5CCCC5)c4)cc3)CC2)c(Cl)n1.O=C(Cc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Nc3c(Cl)cc(CN4CCCC4)cc3Cl)CC2)cc1.O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1.O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Nc3c(Cl)cc(CCN4CCCC4)cc3Cl)CC2)cc1
InChIInChI=1S/C35H41Cl2N7O3.C34H40Cl2N6O2.C34H39Cl2N5O4.C34H39Cl2N5O2.C32H34Cl2N4O4.C29H31Cl2N5O2.C29H30Cl2N4O2/c1-40-13-15-43(16-14-40)32(45)23-25-21-30(36)33(31(37)22-25)39-35(47)44-19-17-42(18-20-44)28-9-7-27(8-10-28)38-34(46)26-5-4-6-29(24-26)41-11-2-3-12-41;35-30-22-25(12-17-39-13-1-2-14-39)23-31(36)32(30)38-34(44)42-20-18-41(19-21-42)28-10-8-26(9-11-28)33(43)37-27-6-5-7-29(24-27)40-15-3-4-16-40;1-2-45-31(42)22-24-7-6-8-26(19-24)33(43)37-27-9-11-28(12-10-27)40-15-17-41(18-16-40)34(44)38-32-29(35)20-25(21-30(32)36)23-39-13-4-3-5-14-39;35-30-21-26(24-38-12-1-2-13-38)22-31(36)33(30)37-34(43)41-18-16-40(17-19-41)28-10-8-27(9-11-28)32(42)23-25-6-5-7-29(20-25)39-14-3-4-15-39;1-42-32(41)24-6-4-5-23(19-24)31(40)35-25-7-9-26(10-8-25)37-13-15-38(16-14-37)30(39)20-27-28(33)17-22(18-29(27)34)21-36-11-2-3-12-36;1-20-17-26(30)25(28(31)32-20)19-27(37)36-15-13-35(14-16-36)23-9-7-21(8-10-23)29(38)33-22-5-4-6-24(18-22)34-11-2-3-12-34;30-26-7-4-8-27(31)25(26)20-28(36)35-17-15-34(16-18-35)23-11-9-21(10-12-23)29(37)32-22-5-3-6-24(19-22)33-13-1-2-14-33/h4-10,21-22,24H,2-3,11-20,23H2,1H3,(H,38,46)(H,39,47);5-11,22-24H,1-4,12-21H2,(H,37,43)(H,38,44);6-12,19-21H,2-5,13-18,22-23H2,1H3,(H,37,43)(H,38,44);5-11,20-22H,1-4,12-19,23-24H2,(H,37,43);4-10,17-19H,2-3,11-16,20-21H2,1H3,(H,35,40);4-10,17-18H,2-3,11-16,19H2,1H3,(H,33,38);3-12,19H,1-2,13-18,20H2,(H,32,37)
InChIKeyBEQLTLMFUQLPBF-UHFFFAOYSA-N
XLogP42.71
TPSA522.84 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds52
Heavy Atoms296
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004287.10
LogP ≤ 542.71
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide
CID 58258415
[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl] 4-[4-[(3-methoxycarbonylbenzoyl)amino]phenyl]piperazine-1-carboxylate
CID 118967635
4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 25126504
4-[4-[2-[2,6-dichloro-4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetyl]piperazin-1-yl]-N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 44546675
4-(azepan-1-ylmethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53278710
ethyl 3-[4-[4-[(2,6-dichlorophenyl)carbamoyl]piperazin-1-yl]anilino]-3-oxopropanoate
CID 58258592
methyl 3-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoyl]benzoate
CID 108743743
methyl 4-[[3-(4-methylpiperazin-1-yl)benzoyl]amino]benzoate
CID 11394069
4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
(4-methylphenyl)methyl 5-[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]anilino]-5-oxopentanoate
CID 58258349
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
ethyl 2-chloro-4-[[3-(morpholin-4-ylmethyl)benzoyl]amino]benzoate
CID 28565288

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate?
The IUPAC name of N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate (CID 157325304) is N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate.
What is the SMILES notation for N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate?
The canonical SMILES for N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate is CCOC(=O)Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Nc4c(Cl)cc(CN5CCCCC5)cc4Cl)CC3)cc2)c1.CN1CCN(C(=O)Cc2cc(Cl)c(NC(=O)N3CCN(c4ccc(NC(=O)c5cccc(N6CCCC6)c5)cc4)CC3)c(Cl)c2)CC1.COC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Cc4c(Cl)cc(CN5CCCC5)cc4Cl)CC3)cc2)c1.Cc1cc(Cl)c(CC(=O)N2CCN(c3ccc(C(=O)Nc4cccc(N5CCCC5)c4)cc3)CC2)c(Cl)n1.O=C(Cc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Nc3c(Cl)cc(CN4CCCC4)cc3Cl)CC2)cc1.O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1.O=C(Nc1cccc(N2CCCC2)c1)c1ccc(N2CCN(C(=O)Nc3c(Cl)cc(CCN4CCCC4)cc3Cl)CC2)cc1.
What is the InChIKey of N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate?
The InChIKey is BEQLTLMFUQLPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41Cl2N7O3.C34H40Cl2N6O2.C34H39Cl2N5O4.C34H39Cl2N5O2.C32H34Cl2N4O4.C29H31Cl2N5O2.C29H30Cl2N4O2/c1-40-13-15-43(16-14-40)32(45)23-25-21-30(36)33(31(37)22-25)39-35(47)44-19-17-42(18-20-44)28-9-7-27(8-10-28)38-34(46)26-5-4-6-29(24-26)41-11-2-3-12-41;35-30-22-25(12-17-39-13-1-2-14-39)23-31(36)32(30)38-34(44)42-20-18-41(19-21-42)28-10-8-26(9-11-28)33(43)37-27-6-5-7-29(24-27)40-15-3-4-16-40;1-2-45-31(42)22-24-7-6-8-26(19-24)33(43)37-27-9-11-28(12-10-27)40-15-17-41(18-16-40)34(44)38-32-29(35)20-25(21-30(32)36)23-39-13-4-3-5-14-39;35-30-21-26(24-38-12-1-2-13-38)22-31(36)33(30)37-34(43)41-18-16-40(17-19-41)28-10-8-27(9-11-28)32(42)23-25-6-5-7-29(20-25)39-14-3-4-15-39;1-42-32(41)24-6-4-5-23(19-24)31(40)35-25-7-9-26(10-8-25)37-13-15-38(16-14-37)30(39)20-27-28(33)17-22(18-29(27)34)21-36-11-2-3-12-36;1-20-17-26(30)25(28(31)32-20)19-27(37)36-15-13-35(14-16-36)23-9-7-21(8-10-23)29(38)33-22-5-4-6-24(18-22)34-11-2-3-12-34;30-26-7-4-8-27(31)25(26)20-28(36)35-17-15-34(16-18-35)23-11-9-21(10-12-23)29(37)32-22-5-3-6-24(19-22)33-13-1-2-14-33/h4-10,21-22,24H,2-3,11-20,23H2,1H3,(H,38,46)(H,39,47);5-11,22-24H,1-4,12-21H2,(H,37,43)(H,38,44);6-12,19-21H,2-5,13-18,22-23H2,1H3,(H,37,43)(H,38,44);5-11,20-22H,1-4,12-19,23-24H2,(H,37,43);4-10,17-19H,2-3,11-16,20-21H2,1H3,(H,35,40);4-10,17-18H,2-3,11-16,19H2,1H3,(H,33,38);3-12,19H,1-2,13-18,20H2,(H,32,37).
What are the key properties of N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate?
N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate has a molecular weight of 4287.10 g/mol, XLogP of 42.71, 52 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-4-[4-[(3-pyrrolidin-1-ylbenzoyl)amino]phenyl]piperazine-1-carboxamide;4-[4-[2-(2,4-dichloro-6-methyl-3-pyridinyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;4-[4-[2-(2,6-dichlorophenyl)acetyl]piperazin-1-yl]-N-(3-pyrrolidin-1-ylphenyl)benzamide;N-[2,6-dichloro-4-(2-pyrrolidin-1-ylethyl)phenyl]-4-[4-[(3-pyrrolidin-1-ylphenyl)carbamoyl]phenyl]piperazine-1-carboxamide;N-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]-4-[4-[2-(3-pyrrolidin-1-ylphenyl)acetyl]phenyl]piperazine-1-carboxamide;ethyl 2-[3-[[4-[4-[[2,6-dichloro-4-(piperidin-1-ylmethyl)phenyl]carbamoyl]piperazin-1-yl]phenyl]carbamoyl]phenyl]acetate;methyl 3-[[4-[4-[2-[2,6-dichloro-4-(pyrrolidin-1-ylmethyl)phenyl]acetyl]piperazin-1-yl]phenyl]carbamoyl]benzoate is sourced from PubChem (CID 157325304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).