General Information of the Compound
| Compound ID |
CP0401162
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| Compound Name |
[2-methoxy-5-[(11R,12R,13R,14S)-8,15,15-trimethyl-9-oxo-13-propan-2-yl-16-oxa-8-azatetracyclo[8.6.0.02,7.011,14]hexadeca-1(10),2,4,6-tetraen-12-yl]phenyl] acetate
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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 |
COc1ccc(cc1OC(C)=O)[C@@H]1[C@@H](C(C)C)[C@H]2[C@@H]1c1c(OC2(C)C)c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C29H33NO5/c1-15(2)22-23(17-12-13-20(33-7)21(14-17)34-16(3)31)24-25-27(35-29(4,5)26(22)24)18-10-8-9-11-19(18)30(6)28(25)32/h8-15,22-24,26H,1-7H3/t22-,23-,24+,26+/m1/s1
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| InChIKey |
YNMKJCBIBHNPKL-BIATYSSJSA-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