General Information of the Compound
| Compound ID |
CP0568906
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| Compound Name |
1-benzyl-4-[(3R)-3-methyl-4-(5-nitropyridin-2-yl)piperazin-1-yl]phthalazine
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| Structure |
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| Formula |
C25H24N6O2
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| Molecular Weight |
440.507
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccc(cn1)[N+]([O-])=O)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C25H24N6O2/c1-18-17-29(13-14-30(18)24-12-11-20(16-26-24)31(32)33)25-22-10-6-5-9-21(22)23(27-28-25)15-19-7-3-2-4-8-19/h2-12,16,18H,13-15,17H2,1H3/t18-/m1/s1
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| InChIKey |
WFUOZCUKLBHMOW-GOSISDBHSA-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