General Information of the Compound
| Compound ID |
CP0907544
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| Compound Name |
(11R,12R)-12-azaniumyl-4-methyl-11-(2,4,5-trifluorophenyl)-1,5,8-triazatricyclo[7.4.0.0^{2,7}]trideca-2(7),3,5,8-tetraen-5-ium; bis(2,2,2-trifluoroacetate)
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| Structure |
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| Formula |
C21H17F9N4O4
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| Molecular Weight |
560.373
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| Canonical SMILES |
Cc1cc2c(cn1)nc1n2C[C@H](N)[C@@H](c2cc(F)c(F)cc2F)C1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H15F3N4.2C2HF3O2/c1-8-2-16-15(6-22-8)23-17-4-10(14(21)7-24(16)17)9-3-12(19)13(20)5-11(9)18;2*3-2(4,5)1(6)7/h2-3,5-6,10,14H,4,7,21H2,1H3;2*(H,6,7)/t10-,14+;;/m1../s1
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| InChIKey |
XYPLVWIPJIJDDL-ROXZIJFUSA-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