General Information of the Compound
| Compound ID |
CP0388693
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| Compound Name |
(R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)benzoic acid
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| Structure |
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| Formula |
C27H24N4O3
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| Molecular Weight |
452.514
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(O)=O)c2ccccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H24N4O3/c1-18-17-30(26(32)20-7-3-2-4-8-20)15-16-31(18)25-23-10-6-5-9-22(23)24(28-29-25)19-11-13-21(14-12-19)27(33)34/h2-14,18H,15-17H2,1H3,(H,33,34)/t18-/m1/s1
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| InChIKey |
ZYXQNFFWVWSSOK-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