General Information of the Compound
| Compound ID |
CP0551393
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| Compound Name |
(11R,12R,13R,14S)-12-(3-fluoro-4-methoxyphenyl)-13,15,15-trimethyl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-9-one
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| Structure |
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| Formula |
C24H24FNO3
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| Molecular Weight |
393.458
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| Canonical SMILES |
COc1ccc(cc1F)[C@@H]1[C@@H](C)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C24H24FNO3/c1-12-18(13-9-10-17(28-4)15(25)11-13)19-20-22(29-24(2,3)21(12)19)14-7-5-6-8-16(14)26-23(20)27/h5-12,18-19,21H,1-4H3,(H,26,27)/t12-,18+,19+,21+/m1/s1
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| InChIKey |
OERYGHRZGYQIJF-MJRZITLZSA-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