General Information of the Compound
| Compound ID |
CP0170256
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| Compound Name |
6-cyclopropyl-8-fluoro-2-[2-(hydroxymethyl)-3-[6-(1-methyl-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 |
C31H28FN5O2
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| Molecular Weight |
521.596
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| Canonical SMILES |
CN1CCC(=CC1)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C31H28FN5O2/c1-36-10-7-19(8-11-36)26-15-23-29(33-17-34-30(23)35-26)22-3-2-4-27(24(22)16-38)37-12-9-20-13-21(18-5-6-18)14-25(32)28(20)31(37)39/h2-4,7,9,12-15,17-18,38H,5-6,8,10-11,16H2,1H3,(H,33,34,35)
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| InChIKey |
QHMGDMJRYVRKIL-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