General Information of the Compound
| Compound ID |
CP0434848
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| Compound Name |
(11R,12R,13R,14S)-13-ethyl-12-(3-fluoro-4-methoxyphenyl)-8,15,15-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 |
C26H28FNO3
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| Molecular Weight |
421.512
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| Canonical SMILES |
CC[C@@H]1[C@H]([C@@H]2[C@H]1C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(F)c1
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| InChI |
InChI=1S/C26H28FNO3/c1-6-15-20(14-11-12-19(30-5)17(27)13-14)21-22-24(31-26(2,3)23(15)21)16-9-7-8-10-18(16)28(4)25(22)29/h7-13,15,20-21,23H,6H2,1-5H3/t15-,20-,21+,23+/m1/s1
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| InChIKey |
OWXXXJHWSQBEGB-ZARRYTOOSA-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