General Information of the Compound
| Compound ID |
CP0636632
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| Compound Name |
(4Z)-6-Piperidin-1-yl-4-({[4-(piperidin-1-ylmethyl)phenyl]-amino}methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C27H32N4O2
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| Molecular Weight |
444.579
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| Canonical SMILES |
O=C1NC(=O)c2ccc(N3CCCCC3)cc2/C1=C/Nc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C27H32N4O2/c32-26-23-12-11-22(31-15-5-2-6-16-31)17-24(23)25(27(33)29-26)18-28-21-9-7-20(8-10-21)19-30-13-3-1-4-14-30/h7-12,17-18,28H,1-6,13-16,19H2,(H,29,32,33)/b25-18-
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| InChIKey |
PMEOKSYZMPMMJT-BWAHOGKJSA-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