General Information of the Compound
| Compound ID |
CP0495967
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| Compound Name |
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(4-fluorobenzyl)-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 |
C33H34FN7O
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| Molecular Weight |
563.681
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C33H34FN7O/c1-33(2,35)32(42)38-29(17-23-19-37-28-10-6-4-8-26(23)28)31-40-39-30(41(31)20-21-11-14-24(34)15-12-21)16-13-22-18-36-27-9-5-3-7-25(22)27/h3-12,14-15,18-19,29,36-37H,13,16-17,20,35H2,1-2H3,(H,38,42)/t29-/m1/s1
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| InChIKey |
KZEQFCJODZNZJF-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