General Information of the Compound
| Compound ID |
CP0304838
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| Compound Name |
6-cyclopropyl-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]isoquinolin-1-one
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| Structure |
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| Formula |
C35H36N6O3
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| Molecular Weight |
588.712
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3cc(ccc3c2=O)C2CC2)nc1
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| InChI |
InChI=1S/C35H36N6O3/c1-38-14-16-40(17-15-38)27-9-11-33(36-20-27)37-31-19-26(21-39(2)35(31)44)28-4-3-5-32(30(28)22-42)41-13-12-25-18-24(23-6-7-23)8-10-29(25)34(41)43/h3-5,8-13,18-21,23,42H,6-7,14-17,22H2,1-2H3,(H,36,37)
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| InChIKey |
CSYFTNOGJGAJIR-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