General Information of the Compound
| Compound ID |
CP0511871
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| Compound Name |
(R)-N-(1-(5-(2-(1H-indol-2-yl)ethyl)-4-(4-methylbenzyl)-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 |
C34H37N7O
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| Molecular Weight |
559.718
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| Canonical SMILES |
Cc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
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| InChI |
InChI=1S/C34H37N7O/c1-22-12-14-23(15-13-22)21-41-31(17-16-24-19-36-28-10-6-4-8-26(24)28)39-40-32(41)30(38-33(42)34(2,3)35)18-25-20-37-29-11-7-5-9-27(25)29/h4-15,19-20,30,36-37H,16-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1
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| InChIKey |
KJMRUOOAHNCZDI-SSEXGKCCSA-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