General Information of the Compound
| Compound ID |
CP0633383
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| Compound Name |
(4Z)-6-Piperidin-1-yl-4-({[4-(methylpiperazin-1-yl)phenyl]-amino}methylene)isoquinoline-1,3(2H,4H)-dione
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| Formula |
C26H31N5O2
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| Molecular Weight |
445.567
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| Canonical SMILES |
CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(N5CCCCC5)cc43)cc2)CC1
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| InChI |
InChI=1S/C26H31N5O2/c1-29-13-15-31(16-14-29)20-7-5-19(6-8-20)27-18-24-23-17-21(30-11-3-2-4-12-30)9-10-22(23)25(32)28-26(24)33/h5-10,17-18,27H,2-4,11-16H2,1H3,(H,28,32,33)/b24-18-
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| InChIKey |
ZKLXKUXSMBWFGK-MOHJPFBDSA-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