General Information of the Compound
| Compound ID |
CP0457214
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| Compound Name |
N-[3-[1-[3-[6-chloro-4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H30Cl2N4O2
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| Molecular Weight |
549.502
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccc(Cl)cc3)c3cc(Cl)ccc3c2=O)CC1
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| InChI |
InChI=1S/C30H30Cl2N4O2/c1-20(37)33-26-5-2-4-23(18-26)21-12-16-35(17-13-21)14-3-15-36-30(38)27-11-10-25(32)19-28(27)29(34-36)22-6-8-24(31)9-7-22/h2,4-11,18-19,21H,3,12-17H2,1H3,(H,33,37)
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| InChIKey |
KTRCYCJPMDYGHD-UHFFFAOYSA-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