General Information of the Compound
| Compound ID |
CP0393029
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| Compound Name |
(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)picolinamide
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| Structure |
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| Formula |
C33H27N7O
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| Molecular Weight |
537.627
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| Canonical SMILES |
O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)c1ccccn1
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| InChI |
InChI=1S/C33H27N7O/c41-33(29-16-8-9-19-34-29)37-31(26-21-36-28-15-7-5-13-25(26)28)32-39-38-30(40(32)23-10-2-1-3-11-23)18-17-22-20-35-27-14-6-4-12-24(22)27/h1-16,19-21,31,35-36H,17-18H2,(H,37,41)/t31-/m1/s1
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| InChIKey |
NDCGZZICLXIXQT-WJOKGBTCSA-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