General Information of the Compound
| Compound ID |
CP0633458
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| Compound Name |
4-[(4Z)-4-({[4-(4-Methylpiperazin-1-yl)phenyl]amino}methylene)-1,3-dioxo-1,2,3,4-tetra-hydroisoquinolin-6-yl]benzaldehyde
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| Formula |
C28H26N4O3
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| Molecular Weight |
466.541
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccc(C=O)cc5)cc43)cc2)CC1
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| InChI |
InChI=1S/C28H26N4O3/c1-31-12-14-32(15-13-31)23-9-7-22(8-10-23)29-17-26-25-16-21(20-4-2-19(18-33)3-5-20)6-11-24(25)27(34)30-28(26)35/h2-11,16-18,29H,12-15H2,1H3,(H,30,34,35)/b26-17-
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| InChIKey |
VJTNEPSXEDHFKQ-ONUIUJJFSA-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