General Information of the Compound
| Compound ID |
CP0633609
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| Compound Name |
(4Z)-6-(3-Methoxyphenyl)-4-({[4-(piperidin-ylmethyl)phenyl]-amino}methylene)-isoquinoline-1,3(2H,4H)-dione
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| Formula |
C29H29N3O3
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| Molecular Weight |
467.569
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| Canonical SMILES |
COc1cccc(-c2ccc3c(c2)/C(=C/Nc2ccc(CN4CCCCC4)cc2)C(=O)NC3=O)c1
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| InChI |
InChI=1S/C29H29N3O3/c1-35-24-7-5-6-21(16-24)22-10-13-25-26(17-22)27(29(34)31-28(25)33)18-30-23-11-8-20(9-12-23)19-32-14-3-2-4-15-32/h5-13,16-18,30H,2-4,14-15,19H2,1H3,(H,31,33,34)/b27-18-
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| InChIKey |
SSIGALOOWMAALO-IMRQLAEWSA-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