General Information of the Compound
| Compound ID |
CP0082507
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| Compound Name |
4-[[4-amino-6-[3-(6-cyclopropyl-8-fluoro-1-oxoisoquinolin-2-yl)-2-(hydroxymethyl)phenyl]-1,3,5-triazin-2-yl]amino]-1-propan-2-ylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C30H27FN8O2
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| Molecular Weight |
550.598
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| Canonical SMILES |
CC(C)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N
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| InChI |
InChI=1S/C30H27FN8O2/c1-16(2)39-14-20(12-21(39)13-32)34-30-36-27(35-29(33)37-30)22-4-3-5-25(23(22)15-40)38-9-8-18-10-19(17-6-7-17)11-24(31)26(18)28(38)41/h3-5,8-12,14,16-17,40H,6-7,15H2,1-2H3,(H3,33,34,35,36,37)
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| InChIKey |
RWZRYOLADSIKMF-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