General Information of the Compound
| Compound ID |
CP0511560
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| Compound Name |
3-(4-fluorophenyl)-4-oxo-N-[2-oxo-2-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]ethyl]phthalazine-1-carboxamide
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| Structure |
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| Formula |
C25H15F4N5O3S
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| Molecular Weight |
541.486
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| Canonical SMILES |
Fc1ccc(cc1)-n1nc(C(=O)NCC(=O)Nc2nc3ccc(cc3s2)C(F)(F)F)c2ccccc2c1=O
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| InChI |
InChI=1S/C25H15F4N5O3S/c26-14-6-8-15(9-7-14)34-23(37)17-4-2-1-3-16(17)21(33-34)22(36)30-12-20(35)32-24-31-18-10-5-13(25(27,28)29)11-19(18)38-24/h1-11H,12H2,(H,30,36)(H,31,32,35)
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| InChIKey |
LOCPWBZGUDQMCV-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