General Information of the Compound
| Compound ID |
CP0504620
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| Compound Name |
(R)-4-(4-(4-benzoyl-2-methylpiperazin-1-yl)phthalazin-1-yl)benzamide
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| Structure |
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| Formula |
C27H25N5O2
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| Molecular Weight |
451.53
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nnc(-c2ccc(cc2)C(N)=O)c2ccccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H25N5O2/c1-18-17-31(27(34)21-7-3-2-4-8-21)15-16-32(18)26-23-10-6-5-9-22(23)24(29-30-26)19-11-13-20(14-12-19)25(28)33/h2-14,18H,15-17H2,1H3,(H2,28,33)/t18-/m1/s1
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| InChIKey |
SGSUSGPSOCIWNM-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