General Information of the Compound
| Compound ID |
CP0378575
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| Compound Name |
2-amino-N-((R)-1-(4,5-dibenzyl-4H-1,2,4-triazol-3-yl)-2-(1Hindol-3-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C30H32N6O
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| Molecular Weight |
492.627
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1ccccc1
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| InChI |
InChI=1S/C30H32N6O/c1-30(2,31)29(37)33-26(18-23-19-32-25-16-10-9-15-24(23)25)28-35-34-27(17-21-11-5-3-6-12-21)36(28)20-22-13-7-4-8-14-22/h3-16,19,26,32H,17-18,20,31H2,1-2H3,(H,33,37)/t26-/m1/s1
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| InChIKey |
STHADNJZIQEPNZ-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