General Information of the Compound
| Compound ID |
CP0633460
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| Compound Name |
N-[(4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}methylene)-1,3-dioxo-1,2,3,4-tetrahydroisoquinolin-6-yl]acetamide
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| Formula |
C23H25N5O3
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| Molecular Weight |
419.485
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| Canonical SMILES |
CC(=O)Nc1ccc2c(c1)/C(=C/Nc1ccc(N3CCN(C)CC3)cc1)C(=O)NC2=O
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| InChI |
InChI=1S/C23H25N5O3/c1-15(29)25-17-5-8-19-20(13-17)21(23(31)26-22(19)30)14-24-16-3-6-18(7-4-16)28-11-9-27(2)10-12-28/h3-8,13-14,24H,9-12H2,1-2H3,(H,25,29)(H,26,30,31)/b21-14-
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| InChIKey |
YYYQZZNHWDXLMW-STZFKDTASA-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