General Information of the Compound
| Compound ID |
CP0415193
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-3-(dibenzylamino)propanamide
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| Structure |
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| Formula |
C40H49ClN6O2
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| Molecular Weight |
681.325
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)CCN(Cc2ccccc2)Cc2ccccc2)C(=O)N2CCC(Cn3cncn3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C40H49ClN6O2/c41-36-18-16-32(17-19-36)26-37(44-38(48)20-23-45(27-33-10-4-1-5-11-33)28-34-12-6-2-7-13-34)39(49)46-24-21-40(22-25-46,29-47-31-42-30-43-47)35-14-8-3-9-15-35/h1-2,4-7,10-13,16-19,30-31,35,37H,3,8-9,14-15,20-29H2,(H,44,48)/t37-/m1/s1
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| InChIKey |
OIYKMXFSNDBSER-DIPNUNPCSA-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