General Information of the Compound
| Compound ID |
CP0258895
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| Compound Name |
4-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C28H24FN5O3
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| Molecular Weight |
497.53
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| Canonical SMILES |
CN(C)C(=O)c1cc2c(ncnc2[nH]1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C28H24FN5O3/c1-33(2)27(36)22-12-19-25(30-14-31-26(19)32-22)18-4-3-5-23(20(18)13-35)34-9-8-16-10-17(15-6-7-15)11-21(29)24(16)28(34)37/h3-5,8-12,14-15,35H,6-7,13H2,1-2H3,(H,30,31,32)
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| InChIKey |
OMQIOKCPPZNPEA-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