General Information of the Compound
| Compound ID |
CP0499431
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| Compound Name |
(11S,12R,13S,14S)-13-cyclopropyl-12-(3,4-dimethoxyphenyl)-8,15,15-trimethyl-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 |
C29H33NO3
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| Molecular Weight |
443.587
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H]1[C@@H](C2CC2)[C@H]2[C@@H]1c1c(CC2(C)C)c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C29H33NO3/c1-29(2)15-19-18-8-6-7-9-20(18)30(3)28(31)25(19)26-23(24(27(26)29)16-10-11-16)17-12-13-21(32-4)22(14-17)33-5/h6-9,12-14,16,23-24,26-27H,10-11,15H2,1-5H3/t23-,24-,26+,27+/m1/s1
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| InChIKey |
SNCDHXTYESQSND-KAHCWPQKSA-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