General Information of the Compound
| Compound ID |
CP0522082
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| Compound Name |
(4-(4-phenylphthalazin-1-yl)piperazin-1-yl)(thiophen-2-yl)methanone
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| Structure |
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| Formula |
C23H20N4OS
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| Molecular Weight |
400.507
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| Canonical SMILES |
O=C(N1CCN(CC1)c1nnc(-c2ccccc2)c2ccccc12)c1cccs1
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| InChI |
InChI=1S/C23H20N4OS/c28-23(20-11-6-16-29-20)27-14-12-26(13-15-27)22-19-10-5-4-9-18(19)21(24-25-22)17-7-2-1-3-8-17/h1-11,16H,12-15H2
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| InChIKey |
NZMPJXCOZWTZBJ-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