General Information of the Compound
| Compound ID |
CP0170254
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[4-(piperidine-1-carbonyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C37H32FN5O3
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| Molecular Weight |
613.693
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(cc1)C(=O)N1CCCCC1
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| InChI |
InChI=1S/C37H32FN5O3/c38-30-18-26(22-7-8-22)17-25-13-16-43(37(46)33(25)30)32-6-4-5-27(29(32)20-44)34-28-19-31(41-35(28)40-21-39-34)23-9-11-24(12-10-23)36(45)42-14-2-1-3-15-42/h4-6,9-13,16-19,21-22,44H,1-3,7-8,14-15,20H2,(H,39,40,41)
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| InChIKey |
FMWZPFXDAGFGQY-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