General Information of the Compound
| Compound ID |
CP0879903
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| Compound Name |
N-((R)-1-(4-(furan-2-ylmethyl)-5-phenethyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C31H36N6O2
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| Molecular Weight |
524.669
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| Canonical SMILES |
O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1Cc1ccco1)C1CCNCC1
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| InChI |
InChI=1S/C31H36N6O2/c38-31(23-14-16-32-17-15-23)34-28(19-24-20-33-27-11-5-4-10-26(24)27)30-36-35-29(13-12-22-7-2-1-3-8-22)37(30)21-25-9-6-18-39-25/h1-11,18,20,23,28-29,32-33,35H,12-17,19,21H2,(H,34,38)/t28-,29?/m1/s1
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| InChIKey |
KPSXNMHZQBHMJO-FICMROCWSA-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