General Information of the Compound
| Compound ID |
CP0570933
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| Compound Name |
6-[(2R)-4-(4-chlorophthalazin-1-yl)-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C19H17ClN6
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| Molecular Weight |
364.84
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cl)c2ccccc12
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| InChI |
InChI=1S/C19H17ClN6/c1-13-12-25(8-9-26(13)17-7-6-14(10-21)11-22-17)19-16-5-3-2-4-15(16)18(20)23-24-19/h2-7,11,13H,8-9,12H2,1H3/t13-/m1/s1
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| InChIKey |
YMDTTYODSSEZPW-CYBMUJFWSA-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