General Information of the Compound
| Compound ID |
CP0441882
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| Compound Name |
(R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-(4-bromobenzyl)-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 |
C34H36BrN7O
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| Molecular Weight |
638.614
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1ccc(Br)cc1
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| InChI |
InChI=1S/C34H36BrN7O/c1-34(2,36)33(43)39-30(18-24-20-38-29-12-6-4-10-27(24)29)32-41-40-31(42(32)21-22-14-16-25(35)17-15-22)13-7-8-23-19-37-28-11-5-3-9-26(23)28/h3-6,9-12,14-17,19-20,30,37-38H,7-8,13,18,21,36H2,1-2H3,(H,39,43)/t30-/m1/s1
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| InChIKey |
WIZZKBPYASAOGT-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