General Information of the Compound
| Compound ID |
CP0515946
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| Compound Name |
1-(2-fluoro-4-(trifluoromethyl)phenyl)-3-(3-(5-(4-(piperazine-1-carbonyl)phenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl)urea
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| Structure |
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| Formula |
C33H28F4N6O2
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| Molecular Weight |
616.619
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| Canonical SMILES |
CN1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4ccc(cc4F)C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C33H28F4N6O2/c1-42-11-13-43(14-12-42)31(44)21-7-5-20(6-8-21)23-16-26-27(19-39-30(26)38-18-23)22-3-2-4-25(15-22)40-32(45)41-29-10-9-24(17-28(29)34)33(35,36)37/h2-10,15-19H,11-14H2,1H3,(H,38,39)(H2,40,41,45)
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| InChIKey |
CKTFVJVJZBGKNW-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