General Information of the Compound
| Compound ID |
CP0570932
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| Compound Name |
6-[(2R)-4-(4-benzylphthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carboxylic acid
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| Structure |
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| Formula |
C26H25N5O2
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| Molecular Weight |
439.519
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccc(cn1)C(O)=O)c1nnc(Cc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C26H25N5O2/c1-18-17-30(13-14-31(18)24-12-11-20(16-27-24)26(32)33)25-22-10-6-5-9-21(22)23(28-29-25)15-19-7-3-2-4-8-19/h2-12,16,18H,13-15,17H2,1H3,(H,32,33)/t18-/m1/s1
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| InChIKey |
LUSGARGLIQTPIQ-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