General Information of the Compound
| Compound ID |
CP0454971
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| Compound Name |
N-[(1R)-1-{4-benzyl-5-[2-(1H-indol-3-yl)ethyl]-4H-1,2,4-triazol-3-yl}-2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C35H37N7O
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| Molecular Weight |
571.729
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| Canonical SMILES |
O=C(N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1)C1CCCNC1
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| InChI |
InChI=1S/C35H37N7O/c43-35(26-11-8-18-36-20-26)39-32(19-27-22-38-31-15-7-5-13-29(27)31)34-41-40-33(42(34)23-24-9-2-1-3-10-24)17-16-25-21-37-30-14-6-4-12-28(25)30/h1-7,9-10,12-15,21-22,26,32,36-38H,8,11,16-20,23H2,(H,39,43)/t26?,32-/m1/s1
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| InChIKey |
DESJRSILBBZHEG-WPNNEGNSSA-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