General Information of the Compound
| Compound ID |
CP0115886
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-[1-(morpholine-4-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C35H33FN6O4
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| Molecular Weight |
620.685
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| Canonical SMILES |
OCc1c(cccc1-n1ccc2cc(cc(F)c2c1=O)C1CC1)-c1ncnc2[nH]c(cc12)C1=CCN(CC1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C35H33FN6O4/c36-28-17-24(21-4-5-21)16-23-8-11-42(34(44)31(23)28)30-3-1-2-25(27(30)19-43)32-26-18-29(39-33(26)38-20-37-32)22-6-9-40(10-7-22)35(45)41-12-14-46-15-13-41/h1-3,6,8,11,16-18,20-21,43H,4-5,7,9-10,12-15,19H2,(H,37,38,39)
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| InChIKey |
DMAUZCZUHODWQM-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