General Information of the Compound
| Compound ID |
CP0509024
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| Compound Name |
3-cyclopropyl-3-[(3-fluorophenyl)methyl]-10-[4-(trifluoromethyl)phenyl]-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
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| Structure |
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| Formula |
C25H20F4N4
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| Molecular Weight |
452.455
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| Canonical SMILES |
Fc1cccc(CC2(NCc3cnc4c(cnn4c23)-c2ccc(cc2)C(F)(F)F)C2CC2)c1
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| InChI |
InChI=1S/C25H20F4N4/c26-20-3-1-2-15(10-20)11-24(18-8-9-18)22-17(13-31-24)12-30-23-21(14-32-33(22)23)16-4-6-19(7-5-16)25(27,28)29/h1-7,10,12,14,18,31H,8-9,11,13H2
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| InChIKey |
CSHWCXCTWMMTEZ-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