1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one

C158H182Cl5N17O14S5 — CID 162066474

IUPAC1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one
SMILESCC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2cccc(N3CCC(C(=O)O)CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nc2cc(Cl)ccc2s1.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nc2ccc(Cl)cc2s1.CC(CC(=O)N1C2CC3CC1CC(C(C)C(=O)O)(C3)C2)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccsc3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2cc(Cl)ccc2s1.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C27H35N3O3.C25H28N2O2S.C24H29ClN2O3.2C21H22ClN3OS.2C20H23ClN2O2S/c1-16(9-25(31)30-20-11-17-10-18(13-20)14-21(30)12-17)22-15-28-23-3-2-4-24(26(22)23)29-7-5-19(6-8-29)27(32)33;1-15(7-23(28)27-18-8-16-9-19(27)12-25(29,10-16)11-18)21-13-26-22-4-2-3-20(24(21)22)17-5-6-30-14-17;1-13(18-12-26-20-5-3-4-19(25)22(18)20)6-21(28)27-16-7-15-8-17(27)11-24(9-15,10-16)14(2)23(29)30;1-12(20-24-17-7-14(22)2-3-18(17)27-20)4-19(26)25-15-5-13-6-16(25)10-21(8-13,9-15)11-23;1-12(20-24-17-3-2-14(22)7-18(17)27-20)4-19(26)25-15-5-13-6-16(25)10-21(8-13,9-15)11-23;1-11(19-22-16-7-13(21)2-3-17(16)26-19)4-18(24)23-14-5-12-6-15(23)10-20(25,8-12)9-14;1-11(19-22-16-3-2-13(21)7-17(16)26-19)4-18(24)23-14-5-12-6-15(23)10-20(25,8-12)9-14/h2-4,15-21,28H,5-14H2,1H3,(H,32,33);2-6,13-16,18-19,26,29H,7-12H2,1H3;3-5,12-17,26H,6-11H2,1-2H3,(H,29,30);2*2-3,7,12-13,15-16H,4-6,8-10H2,1H3;2*2-3,7,11-12,14-15,25H,4-6,8-10H2,1H3
InChIKeyZANGAFTUTZMJMX-UHFFFAOYSA-N
MW2880.90 g/mol
LogP34.19
Rot. Bonds26

About 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one

1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one (PubChem CID 162066474) has the molecular formula C158H182Cl5N17O14S5 and a molecular weight of 2880.90 g/mol. Its IUPAC name is 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one
PubChem CID162066474
Molecular FormulaC158H182Cl5N17O14S5
Molecular Weight2880.90 g/mol
Exact Mass2876.11
IUPAC Name1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one
SMILESCC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2cccc(N3CCC(C(=O)O)CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nc2cc(Cl)ccc2s1.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nc2ccc(Cl)cc2s1.CC(CC(=O)N1C2CC3CC1CC(C(C)C(=O)O)(C3)C2)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccsc3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2cc(Cl)ccc2s1.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2ccc(Cl)cc2s1
InChIInChI=1S/C27H35N3O3.C25H28N2O2S.C24H29ClN2O3.2C21H22ClN3OS.2C20H23ClN2O2S/c1-16(9-25(31)30-20-11-17-10-18(13-20)14-21(30)12-17)22-15-28-23-3-2-4-24(26(22)23)29-7-5-19(6-8-29)27(32)33;1-15(7-23(28)27-18-8-16-9-19(27)12-25(29,10-16)11-18)21-13-26-22-4-2-3-20(24(21)22)17-5-6-30-14-17;1-13(18-12-26-20-5-3-4-19(25)22(18)20)6-21(28)27-16-7-15-8-17(27)11-24(9-15,10-16)14(2)23(29)30;1-12(20-24-17-7-14(22)2-3-18(17)27-20)4-19(26)25-15-5-13-6-16(25)10-21(8-13,9-15)11-23;1-12(20-24-17-3-2-14(22)7-18(17)27-20)4-19(26)25-15-5-13-6-16(25)10-21(8-13,9-15)11-23;1-11(19-22-16-7-13(21)2-3-17(16)26-19)4-18(24)23-14-5-12-6-15(23)10-20(25,8-12)9-14;1-11(19-22-16-3-2-13(21)7-17(16)26-19)4-18(24)23-14-5-12-6-15(23)10-20(25,8-12)9-14/h2-4,15-21,28H,5-14H2,1H3,(H,32,33);2-6,13-16,18-19,26,29H,7-12H2,1H3;3-5,12-17,26H,6-11H2,1-2H3,(H,29,30);2*2-3,7,12-13,15-16H,4-6,8-10H2,1H3;2*2-3,7,11-12,14-15,25H,4-6,8-10H2,1H3
InChIKeyZANGAFTUTZMJMX-UHFFFAOYSA-N
XLogP34.19
TPSA427.21 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002880.90
LogP ≤ 534.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one (CID 162066474) is 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one is CC(CC(=O)N1C2CC3CC(C2)CC1C3)c1c[nH]c2cccc(N3CCC(C(=O)O)CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nc2cc(Cl)ccc2s1.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nc2ccc(Cl)cc2s1.CC(CC(=O)N1C2CC3CC1CC(C(C)C(=O)O)(C3)C2)c1c[nH]c2cccc(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1c[nH]c2cccc(-c3ccsc3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2cc(Cl)ccc2s1.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nc2ccc(Cl)cc2s1.
What is the InChIKey of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one?
The InChIKey is ZANGAFTUTZMJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3.C25H28N2O2S.C24H29ClN2O3.2C21H22ClN3OS.2C20H23ClN2O2S/c1-16(9-25(31)30-20-11-17-10-18(13-20)14-21(30)12-17)22-15-28-23-3-2-4-24(26(22)23)29-7-5-19(6-8-29)27(32)33;1-15(7-23(28)27-18-8-16-9-19(27)12-25(29,10-16)11-18)21-13-26-22-4-2-3-20(24(21)22)17-5-6-30-14-17;1-13(18-12-26-20-5-3-4-19(25)22(18)20)6-21(28)27-16-7-15-8-17(27)11-24(9-15,10-16)14(2)23(29)30;1-12(20-24-17-7-14(22)2-3-18(17)27-20)4-19(26)25-15-5-13-6-16(25)10-21(8-13,9-15)11-23;1-12(20-24-17-3-2-14(22)7-18(17)27-20)4-19(26)25-15-5-13-6-16(25)10-21(8-13,9-15)11-23;1-11(19-22-16-7-13(21)2-3-17(16)26-19)4-18(24)23-14-5-12-6-15(23)10-20(25,8-12)9-14;1-11(19-22-16-3-2-13(21)7-17(16)26-19)4-18(24)23-14-5-12-6-15(23)10-20(25,8-12)9-14/h2-4,15-21,28H,5-14H2,1H3,(H,32,33);2-6,13-16,18-19,26,29H,7-12H2,1H3;3-5,12-17,26H,6-11H2,1-2H3,(H,29,30);2*2-3,7,12-13,15-16H,4-6,8-10H2,1H3;2*2-3,7,11-12,14-15,25H,4-6,8-10H2,1H3.
What are the key properties of 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one?
1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one has a molecular weight of 2880.90 g/mol, XLogP of 34.19, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-4-oxobutan-2-yl]-1H-indol-4-yl]piperidine-4-carboxylic acid;2-[3-(5-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(6-chloro-1,3-benzothiazol-2-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(5-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(6-chloro-1,3-benzothiazol-2-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[2-[3-(4-chloro-1H-indol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decan-5-yl]propanoic acid;1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(4-thiophen-3-yl-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 162066474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).