General Information of the Compound
| Compound ID |
CP0576231
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| Compound Name |
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
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| Structure |
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| Formula |
C23H17ClF3N3O
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| Molecular Weight |
443.856
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| Canonical SMILES |
FC(F)(F)c1cc(NC(=O)CCc2cccc(c2)-c2cnc3[nH]ccc3c2)ccc1Cl
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| InChI |
InChI=1S/C23H17ClF3N3O/c24-20-6-5-18(12-19(20)23(25,26)27)30-21(31)7-4-14-2-1-3-15(10-14)17-11-16-8-9-28-22(16)29-13-17/h1-3,5-6,8-13H,4,7H2,(H,28,29)(H,30,31)
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| InChIKey |
VCSLNTQIOHQKAS-UHFFFAOYSA-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