General Information of the Compound
| Compound ID |
CP0467207
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-4-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)butanamide
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| Structure |
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| Formula |
C31H42N4O
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| Molecular Weight |
486.704
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| Canonical SMILES |
NC1CCC(CC2CCC(CC2)N(Cc2ccncc2)C(=O)CCCc2c[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C31H42N4O/c32-27-12-8-23(9-13-27)20-24-10-14-28(15-11-24)35(22-25-16-18-33-19-17-25)31(36)7-3-4-26-21-34-30-6-2-1-5-29(26)30/h1-2,5-6,16-19,21,23-24,27-28,34H,3-4,7-15,20,22,32H2
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| InChIKey |
KDIQFUMLEPFRNV-UHFFFAOYSA-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