General Information of the Compound
| Compound ID |
CP0441466
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| Compound Name |
(R)-N-(2-(1H-indol-3-yl)-1-(4-(naphthalen-1-ylmethyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C35H36N6O
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| Molecular Weight |
556.714
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccc2ccccc12
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| InChI |
InChI=1S/C35H36N6O/c1-35(2,36)34(42)38-31(21-27-22-37-30-18-9-8-17-29(27)30)33-40-39-32(20-19-24-11-4-3-5-12-24)41(33)23-26-15-10-14-25-13-6-7-16-28(25)26/h3-18,22,31,37H,19-21,23,36H2,1-2H3,(H,38,42)/t31-/m1/s1
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| InChIKey |
GVJSNYBRUNZPPQ-WJOKGBTCSA-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