General Information of the Compound
| Compound ID |
CP0552899
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| Compound Name |
N-[(6S,7R)-18-chloro-14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-6-yl]-2,2,2-trifluoro-N-methylacetamide
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| Structure |
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| Formula |
C20H18ClF3N2O2
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| Molecular Weight |
410.823
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| Canonical SMILES |
CN([C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21)C(=O)C(F)(F)F
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| InChI |
InChI=1S/C20H18ClF3N2O2/c1-25(19(27)20(22,23)24)14-6-4-10-26-15-11-12(21)8-9-17(15)28-16-7-3-2-5-13(16)18(14)26/h2-3,5,7-9,11,14,18H,4,6,10H2,1H3/t14-,18+/m0/s1
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| InChIKey |
FWZOQLQKXSHTIN-KBXCAEBGSA-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