General Information of the Compound
| Compound ID |
CP0430788
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| Compound Name |
(R)-(4-(4-(pyrimidin-5-yl)phthalazin-1-yl)-3-methylpiperazin-1-yl)(phenyl)methanone
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| Structure |
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| Formula |
C24H22N6O
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| Molecular Weight |
410.481
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nnc(-c2cncnc2)c2ccccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C24H22N6O/c1-17-15-29(24(31)18-7-3-2-4-8-18)11-12-30(17)23-21-10-6-5-9-20(21)22(27-28-23)19-13-25-16-26-14-19/h2-10,13-14,16-17H,11-12,15H2,1H3/t17-/m1/s1
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| InChIKey |
FYULLKIZSXNYGE-QGZVFWFLSA-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