General Information of the Compound
| Compound ID |
CP0428123
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| Compound Name |
ethyl 3-benzyl-4-methyl-10-[4-(trifluoromethyl)phenyl]-1,4,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3-carboxylate
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| Structure |
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| Formula |
C26H23F3N4O2
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| Molecular Weight |
480.49
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccccc2)N(C)Cc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H23F3N4O2/c1-3-35-24(34)25(13-17-7-5-4-6-8-17)22-19(16-32(25)2)14-30-23-21(15-31-33(22)23)18-9-11-20(12-10-18)26(27,28)29/h4-12,14-15H,3,13,16H2,1-2H3
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| InChIKey |
XCEHXJCCOGXTBG-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