General Information of the Compound
| Compound ID |
CP0635239
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| Compound Name |
N-[(4Z)-1,3-Dioxo-4-({[4-piperidin-1-ylmethyl]phenyl}amino)-methylene]-1,2,3,4-tetrahydroisoquinolin-6-yl]acetamide
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| Formula |
C24H26N4O3
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| Molecular Weight |
418.497
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| Canonical SMILES |
CC(=O)Nc1ccc2c(c1)/C(=C/Nc1ccc(CN3CCCCC3)cc1)C(=O)NC2=O
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| InChI |
InChI=1S/C24H26N4O3/c1-16(29)26-19-9-10-20-21(13-19)22(24(31)27-23(20)30)14-25-18-7-5-17(6-8-18)15-28-11-3-2-4-12-28/h5-10,13-14,25H,2-4,11-12,15H2,1H3,(H,26,29)(H,27,30,31)/b22-14-
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| InChIKey |
DCWXBECVWQDBCS-HMAPJEAMSA-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