General Information of the Compound
| Compound ID |
CP0378562
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| Compound Name |
(R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-(2,4-dimethoxybenzyl)-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 |
C36H41N7O3
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| Molecular Weight |
619.77
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| Canonical SMILES |
COc1ccc(Cn2c(CCCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c(OC)c1
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| InChI |
InChI=1S/C36H41N7O3/c1-36(2,37)35(44)40-31(18-25-21-39-30-14-8-6-12-28(25)30)34-42-41-33(15-9-10-23-20-38-29-13-7-5-11-27(23)29)43(34)22-24-16-17-26(45-3)19-32(24)46-4/h5-8,11-14,16-17,19-21,31,38-39H,9-10,15,18,22,37H2,1-4H3,(H,40,44)/t31-/m1/s1
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| InChIKey |
FCJVKIMYXMJFFZ-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