General Information of the Compound
| Compound ID |
CP0488190
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| Compound Name |
(11R,12S,13R,14R)-13-(cyclopropanecarbonyl)-12-(3,4-dimethoxyphenyl)-15,15-dimethyl-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 |
C28H29NO5
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| Molecular Weight |
459.542
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H]1[C@H]([C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2[nH]c1=O)C(=O)C1CC1
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| InChI |
InChI=1S/C28H29NO5/c1-28(2)24-21(23-26(34-28)16-7-5-6-8-17(16)29-27(23)31)20(22(24)25(30)14-9-10-14)15-11-12-18(32-3)19(13-15)33-4/h5-8,11-14,20-22,24H,9-10H2,1-4H3,(H,29,31)/t20-,21-,22+,24+/m0/s1
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| InChIKey |
NJTILZBYEKCSQE-ZPFZUWPUSA-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