General Information of the Compound
| Compound ID |
CP0128039
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| Compound Name |
(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(thiazol-2-yl)methanone
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| Structure |
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| Formula |
C22H19N5OS
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| Molecular Weight |
401.495
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| Canonical SMILES |
O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1nccs1
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| InChI |
InChI=1S/C22H19N5OS/c28-22(21-23-10-15-29-21)27-13-11-26(12-14-27)20-18-9-5-4-8-17(18)19(24-25-20)16-6-2-1-3-7-16/h1-10,15H,11-14H2
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| InChIKey |
NZDDSVZRFYCJOD-UHFFFAOYSA-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