General Information of the Compound
| Compound ID |
CP0392208
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| Compound Name |
N-[3-[2-[2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]anilino]-6,7-dioxo-5-propan-2-ylpteridin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C35H43N9O4
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| Molecular Weight |
653.788
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc2n(C(C)C)c(=O)c(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1)N1CCC(CC1)N1CCN(C)CC1
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| InChI |
InChI=1S/C35H43N9O4/c1-6-31(45)37-24-8-7-9-27(20-24)44-32-29(43(23(2)3)33(46)34(44)47)22-36-35(39-32)38-28-11-10-26(21-30(28)48-5)41-14-12-25(13-15-41)42-18-16-40(4)17-19-42/h6-11,20-23,25H,1,12-19H2,2-5H3,(H,37,45)(H,36,38,39)
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| InChIKey |
KNARRZQQMNVVEZ-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