General Information of the Compound
| Compound ID |
CP0949304
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| Compound Name |
N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-4-phenoxybenzamide
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| Structure |
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| Formula |
C31H30N6O2
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| Molecular Weight |
518.621
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| Canonical SMILES |
CN(C(=O)c1ccc(Oc2ccccc2)cc1)C1CCN(c2nnc(-c3ccnn3C)c3ccccc23)CC1
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| InChI |
InChI=1S/C31H30N6O2/c1-35(31(38)22-12-14-25(15-13-22)39-24-8-4-3-5-9-24)23-17-20-37(21-18-23)30-27-11-7-6-10-26(27)29(33-34-30)28-16-19-32-36(28)2/h3-16,19,23H,17-18,20-21H2,1-2H3
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| InChIKey |
UVQRRTFLAPBWDY-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