4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate

C221H262ClN29O33S2 — CID 172973441

About 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate

4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate (PubChem CID 172973441) has the molecular formula C221H262ClN29O33S2 and a molecular weight of 3952.28 g/mol. Its IUPAC name is 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate.

Molecular Properties

• Compound Name: 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate
• PubChem CID: 172973441
• Molecular Formula: C221H262ClN29O33S2
• Molecular Weight: 3952.28 g/mol
• Exact Mass: 3948.88
• IUPAC Name: 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate
• SMILES: CCCN(CCC)S(=O)(=O)c1ccc(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)cc1.CCCn1c(=O)c2[nH]cnc2n(-c2ccc(Cl)cc2)c1=O.CCOC(=O)C1CCC(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)CC1.CCOc1cc2c(cc1OC)C(c1ccc(-c3nnn(CC)n3)cc1)=NC1CCCCC21.CCOc1cc2c(cc1OCC)C1CN(C)CCC1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(OC2CCCC2)c1.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.COc1ccc([C@@]2(C#N)CCC[C@H](c3nc(C)no3)C2)cc1OC1CCCC1.O=[N+]([O-])c1cccc(-c2cc(Cc3ccccc3)cc(/C=N/O)c2O)c1.O=[N+]([O-])c1cccc(-c2nn3c(CC4CCC4)nnc3c3cccnc23)c1
• InChI: InChI=1S/C30H35N3O4S.C28H38N2O4S.C25H29N5O2.C25H35NO4.C22H27N3O3.C20H16N2O4.C20H29NO5.C19H16N6O2.C18H24N2O3.C14H13ClN4O2/c1-5-36-28-17-24-25(18-29(28)37-6-2)30(31-27-15-16-33(4)19-26(24)27)21-9-11-22(12-10-21)32-38(34,35)23-13-7-20(3)8-14-23;1-5-16-30(17-6-2)35(31,32)21-14-12-20(13-15-21)28-24-19-26(33-4)27(34-7-3)18-23(24)22-10-8-9-11-25(22)29-28;1-4-30-28-25(27-29-30)17-12-10-16(11-13-17)24-20-15-22(31-3)23(32-5-2)14-19(20)18-8-6-7-9-21(18)26-24;1-4-29-23-14-19-18-8-6-7-9-21(18)26-24(20(19)15-22(23)28-3)16-10-12-17(13-11-16)25(27)30-5-2;1-15-24-21(28-25-15)16-6-5-11-22(13-16,14-23)17-9-10-19(26-2)20(12-17)27-18-7-3-4-8-18;23-20-17(13-21-24)10-15(9-14-5-2-1-3-6-14)11-19(20)16-7-4-8-18(12-16)22(25)26;1-13(2)11-16(20(23)25-4)21-19(22)14-9-10-17(24-3)18(12-14)26-15-7-5-6-8-15;26-25(27)14-7-2-6-13(11-14)17-18-15(8-3-9-20-18)19-22-21-16(24(19)23-17)10-12-4-1-5-12;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h7-14,17-18,26-27,32H,5-6,15-16,19H2,1-4H3;12-15,18-19,22,25H,5-11,16-17H2,1-4H3;10-15,18,21H,4-9H2,1-3H3;14-18,21H,4-13H2,1-3H3;9-10,12,16,18H,3-8,11,13H2,1-2H3;1-8,10-13,23-24H,9H2;9-10,12-13,15-16H,5-8,11H2,1-4H3,(H,21,22);2-3,6-9,11-12H,1,4-5,10H2;4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);3-6,8H,2,7H2,1H3,(H,16,17)/b;;;;;21-13+;;;;/t;;;;16-,22-;;;;11-,13+,16+;/m....0...1./s1
• InChIKey: BVGUPXWNLFKXJI-DUHTXQDMSA-N
• XLogP: 41.67
• TPSA: 762.34 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 54
• Rotatable Bonds: 59
• Heavy Atoms: 286
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3952.28
LogP ≤ 5	41.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate?

The IUPAC name of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate (CID 172973441) is 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate.

What is the SMILES notation for 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate?

The canonical SMILES for 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate is CCCN(CCC)S(=O)(=O)c1ccc(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)cc1.CCCn1c(=O)c2[nH]cnc2n(-c2ccc(Cl)cc2)c1=O.CCOC(=O)C1CCC(C2=NC3CCCCC3c3cc(OCC)c(OC)cc32)CC1.CCOc1cc2c(cc1OC)C(c1ccc(-c3nnn(CC)n3)cc1)=NC1CCCCC21.CCOc1cc2c(cc1OCC)C1CN(C)CCC1N=C2c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1.COC(=O)C(CC(C)C)NC(=O)c1ccc(OC)c(OC2CCCC2)c1.COc1ccc(C2CNC(=O)NC2)cc1O[C@H]1C[C@@H]2CC[C@H]1C2.COc1ccc([C@@]2(C#N)CCC[C@H](c3nc(C)no3)C2)cc1OC1CCCC1.O=[N+]([O-])c1cccc(-c2cc(Cc3ccccc3)cc(/C=N/O)c2O)c1.O=[N+]([O-])c1cccc(-c2nn3c(CC4CCC4)nnc3c3cccnc23)c1.

What is the InChIKey of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate?

The InChIKey is BVGUPXWNLFKXJI-DUHTXQDMSA-N. The full InChI is InChI=1S/C30H35N3O4S.C28H38N2O4S.C25H29N5O2.C25H35NO4.C22H27N3O3.C20H16N2O4.C20H29NO5.C19H16N6O2.C18H24N2O3.C14H13ClN4O2/c1-5-36-28-17-24-25(18-29(28)37-6-2)30(31-27-15-16-33(4)19-26(24)27)21-9-11-22(12-10-21)32-38(34,35)23-13-7-20(3)8-14-23;1-5-16-30(17-6-2)35(31,32)21-14-12-20(13-15-21)28-24-19-26(33-4)27(34-7-3)18-23(24)22-10-8-9-11-25(22)29-28;1-4-30-28-25(27-29-30)17-12-10-16(11-13-17)24-20-15-22(31-3)23(32-5-2)14-19(20)18-8-6-7-9-21(18)26-24;1-4-29-23-14-19-18-8-6-7-9-21(18)26-24(20(19)15-22(23)28-3)16-10-12-17(13-11-16)25(27)30-5-2;1-15-24-21(28-25-15)16-6-5-11-22(13-16,14-23)17-9-10-19(26-2)20(12-17)27-18-7-3-4-8-18;23-20-17(13-21-24)10-15(9-14-5-2-1-3-6-14)11-19(20)16-7-4-8-18(12-16)22(25)26;1-13(2)11-16(20(23)25-4)21-19(22)14-9-10-17(24-3)18(12-14)26-15-7-5-6-8-15;26-25(27)14-7-2-6-13(11-14)17-18-15(8-3-9-20-18)19-22-21-16(24(19)23-17)10-12-4-1-5-12;1-22-15-5-4-12(14-9-19-18(21)20-10-14)8-17(15)23-16-7-11-2-3-13(16)6-11;1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h7-14,17-18,26-27,32H,5-6,15-16,19H2,1-4H3;12-15,18-19,22,25H,5-11,16-17H2,1-4H3;10-15,18,21H,4-9H2,1-3H3;14-18,21H,4-13H2,1-3H3;9-10,12,16,18H,3-8,11,13H2,1-2H3;1-8,10-13,23-24H,9H2;9-10,12-13,15-16H,5-8,11H2,1-4H3,(H,21,22);2-3,6-9,11-12H,1,4-5,10H2;4-5,8,11,13-14,16H,2-3,6-7,9-10H2,1H3,(H2,19,20,21);3-6,8H,2,7H2,1H3,(H,16,17)/b;;;;;21-13+;;;;/t;;;;16-,22-;;;;11-,13+,16+;/m....0...1./s1.

What are the key properties of 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate?

4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate has a molecular weight of 3952.28 g/mol, XLogP of 41.67, 59 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 4-benzyl-2-[(E)-hydroxyiminomethyl]-6-(3-nitrophenyl)phenol;5-[3-[[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]oxy]-4-methoxyphenyl]-1,3-diazinan-2-one;3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione;cis-(1R,3S)-1-(3-cyclopentyloxy-4-methoxyphenyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexane-1-carbonitrile;5-(cyclobutylmethyl)-8-(3-nitrophenyl)-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,10,12-hexaene;N-[4-(8,9-diethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl)phenyl]-4-methylbenzenesulfonamide;9-ethoxy-6-[4-(2-ethyltetrazol-5-yl)phenyl]-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridine;4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-N,N-dipropylbenzenesulfonamide;ethyl 4-(9-ethoxy-8-methoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)cyclohexane-1-carboxylate;methyl 2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-4-methylpentanoate is sourced from PubChem (CID 172973441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).