General Information of the Compound
| Compound ID |
CP0489234
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| Compound Name |
(3S)-3-[(3-fluorophenyl)methyl]-N-(2-methoxyethyl)-N-methyl-10-[4-(trifluoromethyl)phenyl]-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3-carboxamide
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| Structure |
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| Formula |
C27H25F4N5O2
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| Molecular Weight |
527.522
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| Canonical SMILES |
COCCN(C)C(=O)[C@@]1(Cc2cccc(F)c2)NCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H25F4N5O2/c1-35(10-11-38-2)25(37)26(13-17-4-3-5-21(28)12-17)23-19(15-33-26)14-32-24-22(16-34-36(23)24)18-6-8-20(9-7-18)27(29,30)31/h3-9,12,14,16,33H,10-11,13,15H2,1-2H3/t26-/m0/s1
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| InChIKey |
OAITZPGKABWYAK-SANMLTNESA-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