General Information of the Compound
| Compound ID |
CP0481107
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| Compound Name |
(11R,12R,13R,14S)-13-cyclopropyl-8,15,15-trimethyl-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 |
C29H33NO5
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| Molecular Weight |
475.585
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@@H]1[C@@H](C2CC2)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C29H33NO5/c1-29(2)25-22(15-11-12-15)21(16-13-19(32-4)27(34-6)20(14-16)33-5)23(25)24-26(35-29)17-9-7-8-10-18(17)30(3)28(24)31/h7-10,13-15,21-23,25H,11-12H2,1-6H3/t21-,22-,23+,25+/m1/s1
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| InChIKey |
MHGBBRCVUIBXAI-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