General Information of the Compound
| Compound ID |
CP0633382
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| Compound Name |
(4Z)-N,N-Dimethyl-4-({[4-(4-methylpiperazin-1-yl)phenyl]-amino}methylene)-1,3-dioxo-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
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| Formula |
C24H27N5O3
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| Molecular Weight |
433.512
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(C(=O)N(C)C)cc43)cc2)CC1
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| InChI |
InChI=1S/C24H27N5O3/c1-27(2)24(32)16-4-9-19-20(14-16)21(23(31)26-22(19)30)15-25-17-5-7-18(8-6-17)29-12-10-28(3)11-13-29/h4-9,14-15,25H,10-13H2,1-3H3,(H,26,30,31)/b21-15-
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| InChIKey |
FTTXXBANKVBARF-QNGOZBTKSA-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