General Information of the Compound
| Compound ID |
CP0495989
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| Compound Name |
2-amino-N-[(1R)-1-[4-[(3,4-dichlorophenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
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| Structure |
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| Formula |
C31H32Cl2N6O
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| Molecular Weight |
575.544
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C31H32Cl2N6O/c1-31(2,34)30(40)36-27(17-22-18-35-26-11-7-6-10-23(22)26)29-38-37-28(15-13-20-8-4-3-5-9-20)39(29)19-21-12-14-24(32)25(33)16-21/h3-12,14,16,18,27,35H,13,15,17,19,34H2,1-2H3,(H,36,40)/t27-/m1/s1
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| InChIKey |
UPBALUIJOHCLMX-HHHXNRCGSA-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