General Information of the Compound
| Compound ID |
CP0877434
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| Compound Name |
(2S)-N-((R)-2-(1H-indol-3-yl)-1-(5-phenethyl-4-phenyl-4H-1,2,4-triazol-3-yl)ethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C31H34N6O
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| Molecular Weight |
506.654
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| Canonical SMILES |
O=C(N[C@H](Cc1c[nH]c2ccccc12)C1=NNC(CCc2ccccc2)N1c1ccccc1)[C@@H]1CCCN1
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| InChI |
InChI=1S/C31H34N6O/c38-31(27-16-9-19-32-27)34-28(20-23-21-33-26-15-8-7-14-25(23)26)30-36-35-29(18-17-22-10-3-1-4-11-22)37(30)24-12-5-2-6-13-24/h1-8,10-15,21,27-29,32-33,35H,9,16-20H2,(H,34,38)/t27-,28+,29?/m0/s1
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| InChIKey |
KPHILJBJZJWDQY-POZJPKTBSA-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