General Information of the Compound
| Compound ID |
CP0433522
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| Compound Name |
6-(4-methoxy-2-methylphenyl)-2-(6-((S)-3-(methylamino)pyrrolidin-1-yl)pyridin-3-yl)phthalazin-1(2H)-one
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| Structure |
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| Formula |
C26H27N5O2
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| Molecular Weight |
441.535
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| Canonical SMILES |
CN[C@H]1CCN(C1)c1ccc(cn1)-n1ncc2cc(ccc2c1=O)-c1ccc(OC)cc1C
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| InChI |
InChI=1S/C26H27N5O2/c1-17-12-22(33-3)6-8-23(17)18-4-7-24-19(13-18)14-29-31(26(24)32)21-5-9-25(28-15-21)30-11-10-20(16-30)27-2/h4-9,12-15,20,27H,10-11,16H2,1-3H3/t20-/m0/s1
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| InChIKey |
HCVLQMDNMILQJN-FQEVSTJZSA-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