General Information of the Compound
| Compound ID |
CP0467750
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| Compound Name |
(R)-N-(1-(5-(2-(1H-Indol-3-yl)ethyl)-4-benzyl-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 |
C33H35N7O
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| Molecular Weight |
545.691
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1
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| InChI |
InChI=1S/C33H35N7O/c1-33(2,34)32(41)37-29(18-24-20-36-28-15-9-7-13-26(24)28)31-39-38-30(40(31)21-22-10-4-3-5-11-22)17-16-23-19-35-27-14-8-6-12-25(23)27/h3-15,19-20,29,35-36H,16-18,21,34H2,1-2H3,(H,37,41)/t29-/m1/s1
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| InChIKey |
BLVAQCTVXRMXDP-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