General Information of the Compound
| Compound ID |
CP0231324
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[4-(morpholin-4-ylmethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C36H32FN5O3
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| Molecular Weight |
601.682
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)-c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C36H32FN5O3/c37-30-17-26(23-8-9-23)16-25-10-11-42(36(44)33(25)30)32-3-1-2-27(29(32)20-43)34-28-18-31(40-35(28)39-21-38-34)24-6-4-22(5-7-24)19-41-12-14-45-15-13-41/h1-7,10-11,16-18,21,23,43H,8-9,12-15,19-20H2,(H,38,39,40)
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| InChIKey |
CXNFFFGNHMIMLT-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