General Information of the Compound
| Compound ID |
CP0424317
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| Compound Name |
(Z)-N-(4-((4-aminocyclohexyl)methyl)cyclohexyl)-5-(benzyloxy)-N-(2-chloro-3-phenylallyl)-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C38H44ClN3O2
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| Molecular Weight |
610.242
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| Canonical SMILES |
NC1CCC(CC2CCC(CC2)N(C\C(Cl)=C\c2ccccc2)C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1
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| InChI |
InChI=1S/C38H44ClN3O2/c39-32(22-27-7-3-1-4-8-27)25-42(34-17-13-29(14-18-34)21-28-11-15-33(40)16-12-28)38(43)37-24-31-23-35(19-20-36(31)41-37)44-26-30-9-5-2-6-10-30/h1-10,19-20,22-24,28-29,33-34,41H,11-18,21,25-26,40H2/b32-22-
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| InChIKey |
GNXCXWYINLMYGG-JDCMOKTRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor