General Information of the Compound
| Compound ID |
CP0499393
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| Compound Name |
(11R,12R,13R,14S)-13-butyl-15,15-dimethyl-12-(3,4,5-trimethoxyphenyl)-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 |
C29H35NO5
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| Molecular Weight |
477.601
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| Canonical SMILES |
CCCC[C@@H]1[C@H]([C@@H]2[C@H]1C(C)(C)Oc1c2c(=O)[nH]c2ccccc12)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C29H35NO5/c1-7-8-11-18-22(16-14-20(32-4)27(34-6)21(15-16)33-5)23-24-26(35-29(2,3)25(18)23)17-12-9-10-13-19(17)30-28(24)31/h9-10,12-15,18,22-23,25H,7-8,11H2,1-6H3,(H,30,31)/t18-,22-,23+,25+/m1/s1
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| InChIKey |
PYYHPLBKCSJFLN-FHJKJHCTSA-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