General Information of the Compound
| Compound ID |
CP0923314
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| Compound Name |
1-{4-[1-fluoro-2-oxo-2-(1-pyrrolidinyl)ethyl]phenyl}-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1Hindazole
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| Structure |
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| Formula |
C20H21F4N3O
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| Molecular Weight |
395.4
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| Canonical SMILES |
O=C(C(F)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1)N1CCCC1
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| InChI |
InChI=1S/C20H21F4N3O/c21-17(19(28)26-11-3-4-12-26)13-7-9-14(10-8-13)27-16-6-2-1-5-15(16)18(25-27)20(22,23)24/h7-10,17H,1-6,11-12H2
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| InChIKey |
JDFFPGMJOIDJDF-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