General Information of the Compound
| Compound ID |
CP0424305
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| Compound Name |
ethyl 15-benzyl-5-[4-(trifluoromethyl)phenyl]-2,3,7-triazatricyclo[7.6.0.02,6]pentadeca-1(9),3,5,7-tetraene-15-carboxylate
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| Structure |
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| Formula |
C29H28F3N3O2
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| Molecular Weight |
507.556
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| Canonical SMILES |
CCOC(=O)C1(Cc2ccccc2)CCCCCc2cnc3c(cnn3c12)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C29H28F3N3O2/c1-2-37-27(36)28(17-20-9-5-3-6-10-20)16-8-4-7-11-22-18-33-26-24(19-34-35(26)25(22)28)21-12-14-23(15-13-21)29(30,31)32/h3,5-6,9-10,12-15,18-19H,2,4,7-8,11,16-17H2,1H3
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| InChIKey |
FGNLBPUAXIRWIO-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