General Information of the Compound
| Compound ID |
CP0421828
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| Compound Name |
(R)-N-((1H-indol-3-yl)(5-phenethyl-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)-2-(pyridin-2-yl)acetamide
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| Structure |
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| Formula |
C32H28N6O
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| Molecular Weight |
512.617
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| Canonical SMILES |
O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1
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| InChI |
InChI=1S/C32H28N6O/c39-30(21-24-13-9-10-20-33-24)35-31(27-22-34-28-17-8-7-16-26(27)28)32-37-36-29(19-18-23-11-3-1-4-12-23)38(32)25-14-5-2-6-15-25/h1-17,20,22,31,34H,18-19,21H2,(H,35,39)/t31-/m1/s1
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| InChIKey |
VTXSKPMBPIAESN-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