General Information of the Compound
| Compound ID |
CP0552900
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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-trifluoroethanethioamide
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| Structure |
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| Formula |
C19H16ClF3N2OS
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| Molecular Weight |
412.864
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| Canonical SMILES |
FC(F)(F)C(=S)N[C@H]1CCCN2[C@@H]1c1ccccc1Oc1ccc(Cl)cc21
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| InChI |
InChI=1S/C19H16ClF3N2OS/c20-11-7-8-16-14(10-11)25-9-3-5-13(24-18(27)19(21,22)23)17(25)12-4-1-2-6-15(12)26-16/h1-2,4,6-8,10,13,17H,3,5,9H2,(H,24,27)/t13-,17+/m0/s1
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| InChIKey |
YVBHMLCAFDNLEA-SUMWQHHRSA-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