General Information of the Compound
| Compound ID |
CP0635235
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| Compound Name |
(4Z)-N,N-Dimethyl-1,3-dioxo-4-({[4-(piperidinylmethyl)phenyl]-amino}methylene)-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
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| Formula |
C25H28N4O3
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| Molecular Weight |
432.524
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| Canonical SMILES |
CN(C)C(=O)c1ccc2c(c1)/C(=C/Nc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O
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| InChI |
InChI=1S/C25H28N4O3/c1-28(2)25(32)18-8-11-20-21(14-18)22(24(31)27-23(20)30)15-26-19-9-6-17(7-10-19)16-29-12-4-3-5-13-29/h6-11,14-15,26H,3-5,12-13,16H2,1-2H3,(H,27,30,31)/b22-15-
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| InChIKey |
QFLWMLMVGGJMPY-JCMHNJIXSA-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