General Information of the Compound
| Compound ID |
CP0481307
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| Compound Name |
(11R,12R,13R,14S)-12-(2-chloro-3,4-dimethoxyphenyl)-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 |
C25H26ClNO4
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| Molecular Weight |
439.939
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| Canonical SMILES |
COc1ccc([C@@H]2[C@@H](C)[C@H]3[C@@H]2c2c(OC3(C)C)c3ccccc3[nH]c2=O)c(Cl)c1OC
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| InChI |
InChI=1S/C25H26ClNO4/c1-12-17(14-10-11-16(29-4)23(30-5)21(14)26)18-19-22(31-25(2,3)20(12)18)13-8-6-7-9-15(13)27-24(19)28/h6-12,17-18,20H,1-5H3,(H,27,28)/t12-,17+,18+,20+/m1/s1
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| InChIKey |
GRBFNLZQFKPPSF-UKBILQQUSA-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