General Information of the Compound
| Compound ID |
CP0042945
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| Compound Name |
2-cyclopropyl-6-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]-6-oxopyridin-3-yl]phenyl]-1,6-naphthyridin-5-one
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| Structure |
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| Formula |
C34H35N7O3
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| Molecular Weight |
589.7
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cccc(c2CO)-n2ccc3nc(ccc3c2=O)C2CC2)nc1
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| InChI |
InChI=1S/C34H35N7O3/c1-38-14-16-40(17-15-38)24-8-11-32(35-19-24)37-30-18-23(20-39(2)34(30)44)25-4-3-5-31(27(25)21-42)41-13-12-29-26(33(41)43)9-10-28(36-29)22-6-7-22/h3-5,8-13,18-20,22,42H,6-7,14-17,21H2,1-2H3,(H,35,37)
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| InChIKey |
QPIVVOHSEVHIRG-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