General Information of the Compound
| Compound ID |
CP0536087
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| Compound Name |
4-[4-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C35H29FN4O3
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| Molecular Weight |
572.64
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)-c1cc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C35H29FN4O3/c1-39(2)34(42)22-10-8-21(9-11-22)30-18-27-26(12-14-37-33(27)38-30)25-4-3-5-31(28(25)19-41)40-15-13-23-16-24(20-6-7-20)17-29(36)32(23)35(40)43/h3-5,8-18,20,41H,6-7,19H2,1-2H3,(H,37,38)
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| InChIKey |
BBRXYHCMIGEEPT-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