General Information of the Compound
| Compound ID |
CP0435320
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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-cyclopropylpyrrole-2-carbonitrile
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| Structure |
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| Formula |
C30H25FN8O2
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| Molecular Weight |
548.582
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| Canonical SMILES |
Nc1nc(Nc2cc(C#N)n(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1
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| InChI |
InChI=1S/C30H25FN8O2/c31-24-11-18(16-4-5-16)10-17-8-9-38(28(41)26(17)24)25-3-1-2-22(23(25)15-40)27-35-29(33)37-30(36-27)34-19-12-21(13-32)39(14-19)20-6-7-20/h1-3,8-12,14,16,20,40H,4-7,15H2,(H3,33,34,35,36,37)
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| InChIKey |
PZZZRQOJGNDQJN-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