General Information of the Compound
| Compound ID |
CP0527533
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| Compound Name |
N-[3-[1-[3-[4-(2-chlorophenyl)-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
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| Structure |
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| Formula |
C30H31ClN4O2
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| Molecular Weight |
515.057
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)C1CCN(CCCn2nc(-c3ccccc3Cl)c3ccccc3c2=O)CC1
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| InChI |
InChI=1S/C30H31ClN4O2/c1-21(36)32-24-9-6-8-23(20-24)22-14-18-34(19-15-22)16-7-17-35-30(37)26-11-3-2-10-25(26)29(33-35)27-12-4-5-13-28(27)31/h2-6,8-13,20,22H,7,14-19H2,1H3,(H,32,36)
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| InChIKey |
JOSLZDFDRWASRU-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