General Information of the Compound
| Compound ID |
CP0433469
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| Compound Name |
(R)-N-(1-(4-(4-fluorobenzyl)-5-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 |
C30H31FN6O
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| Molecular Weight |
510.617
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccc(F)cc1
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| InChI |
InChI=1S/C30H31FN6O/c1-30(2,32)29(38)34-26(17-22-18-33-25-11-7-6-10-24(22)25)28-36-35-27(16-20-8-4-3-5-9-20)37(28)19-21-12-14-23(31)15-13-21/h3-15,18,26,33H,16-17,19,32H2,1-2H3,(H,34,38)/t26-/m1/s1
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| InChIKey |
NNYSQGTZNAYGPU-AREMUKBSSA-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