General Information of the Compound
| Compound ID |
CP0427139
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| Compound Name |
(R)-N-(1-(5-((1H-indol-3-yl)methyl)-4-methyl-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 |
C26H29N7O
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| Molecular Weight |
455.566
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| Canonical SMILES |
Cn1c(Cc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C26H29N7O/c1-26(2,27)25(34)30-22(12-16-14-28-20-10-6-4-8-18(16)20)24-32-31-23(33(24)3)13-17-15-29-21-11-7-5-9-19(17)21/h4-11,14-15,22,28-29H,12-13,27H2,1-3H3,(H,30,34)/t22-/m1/s1
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| InChIKey |
ZYIOQMMUZFYJNO-JOCHJYFZSA-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