General Information of the Compound
| Compound ID |
CP0499429
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| Compound Name |
(11R,12R,13R,14S)-12-(4-ethoxy-3-methoxyphenyl)-15,15-dimethyl-13-propan-2-yl-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 |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
CCOc1ccc(cc1OC)[C@@H]1[C@@H](C(C)C)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C28H33NO4/c1-7-32-19-13-12-16(14-20(19)31-6)22-21(15(2)3)25-23(22)24-26(33-28(25,4)5)17-10-8-9-11-18(17)29-27(24)30/h8-15,21-23,25H,7H2,1-6H3,(H,29,30)/t21-,22-,23+,25+/m1/s1
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| InChIKey |
KAENFZXBGXOACA-AHCIIZGASA-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