General Information of the Compound
| Compound ID |
CP0378584
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| Compound Name |
(R)-2-amino-N-(1-(5-benzyl-4-(naphthalen-1-ylmethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-methylpropanamide
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| Structure |
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| Formula |
C34H34N6O
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| Molecular Weight |
542.687
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1Cc1cccc2ccccc12
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| InChI |
InChI=1S/C34H34N6O/c1-34(2,35)33(41)37-30(20-26-21-36-29-18-9-8-17-28(26)29)32-39-38-31(19-23-11-4-3-5-12-23)40(32)22-25-15-10-14-24-13-6-7-16-27(24)25/h3-18,21,30,36H,19-20,22,35H2,1-2H3,(H,37,41)/t30-/m1/s1
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| InChIKey |
CQGFWVSHFMZYIX-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