General Information of the Compound
| Compound ID |
CP0633462
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| Compound Name |
(4Z)-1, 3-Dioxo-4-({[4-(piperidin-1-ylmethyl)phenyl]amino}-methylene)-1,2,3,4-tetrahydroisoquinoline-6-carbonitrile
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| Formula |
C23H22N4O2
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| Molecular Weight |
386.455
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| Canonical SMILES |
N#Cc1ccc2c(c1)/C(=C/Nc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O
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| InChI |
InChI=1S/C23H22N4O2/c24-13-17-6-9-19-20(12-17)21(23(29)26-22(19)28)14-25-18-7-4-16(5-8-18)15-27-10-2-1-3-11-27/h4-9,12,14,25H,1-3,10-11,15H2,(H,26,28,29)/b21-14-
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| InChIKey |
HVOQPXXPRUCDLO-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