General Information of the Compound
| Compound ID |
CP0432087
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| Compound Name |
(S)-N-(3-(4-(3-benzyl-5-methyl-4H-1,2,4-triazol-4-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
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| Structure |
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| Formula |
C29H37N5O
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| Molecular Weight |
471.649
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| Canonical SMILES |
Cc1nnc(Cc2ccccc2)n1C1CCN(CC[C@H](NC(=O)C2CCC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C29H37N5O/c1-22-31-32-28(21-23-9-4-2-5-10-23)34(22)26-15-18-33(19-16-26)20-17-27(24-11-6-3-7-12-24)30-29(35)25-13-8-14-25/h2-7,9-12,25-27H,8,13-21H2,1H3,(H,30,35)/t27-/m0/s1
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| InChIKey |
RYABNTCCFFMRSK-MHZLTWQESA-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