General Information of the Compound
| Compound ID |
CP0490401
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| Compound Name |
N-[(6S,7R)-18-acetyl-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-trifluoroacetamide
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| Structure |
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| Formula |
C21H19F3N2O3
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| Molecular Weight |
404.388
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| Canonical SMILES |
CC(=O)c1ccc2Oc3ccccc3[C@@H]3[C@H](CCCN3c2c1)NC(=O)C(F)(F)F
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| InChI |
InChI=1S/C21H19F3N2O3/c1-12(27)13-8-9-18-16(11-13)26-10-4-6-15(25-20(28)21(22,23)24)19(26)14-5-2-3-7-17(14)29-18/h2-3,5,7-9,11,15,19H,4,6,10H2,1H3,(H,25,28)/t15-,19+/m0/s1
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| InChIKey |
APPVFRNAQIQCHZ-HNAYVOBHSA-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