General Information of the Compound
| Compound ID |
CP0633614
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| Compound Name |
(4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}methylene)isoquinoline 1,3(2H,4H)-dione
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| Formula |
C21H22N4O2
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| Molecular Weight |
362.433
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccccc43)cc2)CC1
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| InChI |
InChI=1S/C21H22N4O2/c1-24-10-12-25(13-11-24)16-8-6-15(7-9-16)22-14-19-17-4-2-3-5-18(17)20(26)23-21(19)27/h2-9,14,22H,10-13H2,1H3,(H,23,26,27)/b19-14-
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| InChIKey |
CKECSSZAAAXGQF-RGEXLXHISA-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