General Information of the Compound
| Compound ID |
CP0552177
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| Compound Name |
(R)-6-(4-chlorophenyl)-2-(6-(3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)phthalazin-1(2H)-one
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| Structure |
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| Formula |
C24H22ClN5O
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| Molecular Weight |
431.927
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| Canonical SMILES |
CN[C@@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H22ClN5O/c1-26-20-10-11-29(15-20)23-9-7-21(14-27-23)30-24(31)22-8-4-17(12-18(22)13-28-30)16-2-5-19(25)6-3-16/h2-9,12-14,20,26H,10-11,15H2,1H3/t20-/m1/s1
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| InChIKey |
DAVBMFYLYDYHHC-HXUWFJFHSA-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