General Information of the Compound
| Compound ID |
CP0570345
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| Compound Name |
4-[7-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C34H28FN5O3
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| Molecular Weight |
573.628
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| Canonical SMILES |
CN(C)C(=O)c1ccc(cc1)-c1nc2c(ccnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C34H28FN5O3/c1-39(2)33(42)21-10-8-20(9-11-21)31-37-30-25(12-14-36-32(30)38-31)24-4-3-5-28(26(24)18-41)40-15-13-22-16-23(19-6-7-19)17-27(35)29(22)34(40)43/h3-5,8-17,19,41H,6-7,18H2,1-2H3,(H,36,37,38)
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| InChIKey |
LNXHYVKLHBSHGT-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