General Information of the Compound
| Compound ID |
CP0378569
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| Compound Name |
(R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-phenethyl-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 |
C35H39N7O
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| Molecular Weight |
573.745
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1CCc1ccccc1
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| InChI |
InChI=1S/C35H39N7O/c1-35(2,36)34(43)39-31(21-26-23-38-30-17-9-7-15-28(26)30)33-41-40-32(42(33)20-19-24-11-4-3-5-12-24)18-10-13-25-22-37-29-16-8-6-14-27(25)29/h3-9,11-12,14-17,22-23,31,37-38H,10,13,18-21,36H2,1-2H3,(H,39,43)/t31-/m1/s1
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| InChIKey |
QDIDJSJXSMBMFE-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