General Information of the Compound
| Compound ID |
CP0378577
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| Compound Name |
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-phenyl-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C32H33N7O
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| Molecular Weight |
531.664
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1
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| InChI |
InChI=1S/C32H33N7O/c1-32(2,33)31(40)36-28(18-22-20-35-27-15-9-7-13-25(22)27)30-38-37-29(39(30)23-10-4-3-5-11-23)17-16-21-19-34-26-14-8-6-12-24(21)26/h3-15,19-20,28,34-35H,16-18,33H2,1-2H3,(H,36,40)/t28-/m1/s1
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| InChIKey |
JIARPYFXIWDCPV-MUUNZHRXSA-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