General Information of the Compound
| Compound ID |
CP0552246
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| Compound Name |
(R)-6-(4-chlorophenyl)-2-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)phthalazin-1(2H)-one
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| Structure |
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| Formula |
C25H24ClN5O
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| Molecular Weight |
445.954
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| Canonical SMILES |
CN(C)[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H24ClN5O/c1-29(2)22-11-12-30(16-22)24-10-8-21(15-27-24)31-25(32)23-9-5-18(13-19(23)14-28-31)17-3-6-20(26)7-4-17/h3-10,13-15,22H,11-12,16H2,1-2H3/t22-/m1/s1
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| InChIKey |
LQVKFCWAMKNRJH-JOCHJYFZSA-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