General Information of the Compound
| Compound ID |
CP0428227
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| Compound Name |
(R)-N-((1H-indol-3-yl)(5-phenethyl-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)picolinamide
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| Structure |
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| Formula |
C31H26N6O
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| Molecular Weight |
498.59
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| Canonical SMILES |
O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1
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| InChI |
InChI=1S/C31H26N6O/c38-31(27-17-9-10-20-32-27)34-29(25-21-33-26-16-8-7-15-24(25)26)30-36-35-28(19-18-22-11-3-1-4-12-22)37(30)23-13-5-2-6-14-23/h1-17,20-21,29,33H,18-19H2,(H,34,38)/t29-/m1/s1
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| InChIKey |
CHHXCTBOTKTHGB-GDLZYMKVSA-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