General Information of the Compound
| Compound ID |
CP0418178
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| Compound Name |
[(3R)-3-cyclopropyl-3-[(3-fluorophenyl)methyl]-10-[6-(trifluoromethyl)pyridin-3-yl]-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-11-yl]methanol
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| Structure |
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| Formula |
C25H21F4N5O
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| Molecular Weight |
483.469
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| Canonical SMILES |
OCc1nn2c3c(CN[C@]3(Cc3cccc(F)c3)C3CC3)cnc2c1-c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C25H21F4N5O/c26-18-3-1-2-14(8-18)9-24(17-5-6-17)22-16(12-32-24)11-31-23-21(19(13-35)33-34(22)23)15-4-7-20(30-10-15)25(27,28)29/h1-4,7-8,10-11,17,32,35H,5-6,9,12-13H2/t24-/m1/s1
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| InChIKey |
APUDSMUVGAUEOX-XMMPIXPASA-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