General Information of the Compound
| Compound ID |
CP0510581
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| Compound Name |
2-amino-N-[(R)-[4-[(2,4-dimethoxyphenyl)methyl]-5-[2-(1H-indol-3-yl)ethyl]-1,2,4-triazol-3-yl]-(1H-indol-3-yl)methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C34H37N7O3
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| Molecular Weight |
591.716
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1
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| InChI |
InChI=1S/C34H37N7O3/c1-34(2,35)33(42)38-31(26-19-37-28-12-8-6-10-25(26)28)32-40-39-30(16-14-21-18-36-27-11-7-5-9-24(21)27)41(32)20-22-13-15-23(43-3)17-29(22)44-4/h5-13,15,17-19,31,36-37H,14,16,20,35H2,1-4H3,(H,38,42)/t31-/m1/s1
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| InChIKey |
IYLHYGYMFPEIIC-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