General Information of the Compound
| Compound ID |
CP0419012
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| Compound Name |
4-benzyl-1-[(3R)-4-(5-cyanopyridin-2-yl)-3-methylpiperazin-1-yl]phthalazine-6-carbonitrile
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| Structure |
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| Formula |
C27H23N7
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| Molecular Weight |
445.53
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2cc(ccc12)C#N
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| InChI |
InChI=1S/C27H23N7/c1-19-18-33(11-12-34(19)26-10-8-22(16-29)17-30-26)27-23-9-7-21(15-28)13-24(23)25(31-32-27)14-20-5-3-2-4-6-20/h2-10,13,17,19H,11-12,14,18H2,1H3/t19-/m1/s1
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| InChIKey |
KPVVMFCIFICDNF-LJQANCHMSA-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