General Information of the Compound
| Compound ID |
CP0497571
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| Compound Name |
[(1S,2R,6S,8S,11S,12S,15S,16S)-4-carbamoyl-2,16-dimethyl-5-oxo-7-oxapentacyclo[9.7.0.02,8.06,8.012,16]octadecan-15-yl] acetate
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| Structure |
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| Formula |
C22H31NO5
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| Molecular Weight |
389.492
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| Canonical SMILES |
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)C(C[C@]5(C)[C@H]3CC[C@]12C)C(N)=O
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| InChI |
InChI=1S/C22H31NO5/c1-11(24)27-16-5-4-14-12-6-9-22-18(28-22)17(25)13(19(23)26)10-21(22,3)15(12)7-8-20(14,16)2/h12-16,18H,4-10H2,1-3H3,(H2,23,26)/t12-,13?,14-,15-,16-,18+,20-,21+,22+/m0/s1
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| InChIKey |
GFDVPRRZNSAANS-JJERAUQSSA-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