General Information of the Compound
| Compound ID |
CP0457886
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| Compound Name |
CHEMBL272175
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| Formula |
C22H29NO5
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| Molecular Weight |
387.476
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| Canonical SMILES |
Cc1oc(nc1CCCC[C@H]1CO[C@](C)(OC1)C(O)=O)-c1ccc(C)cc1C
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| InChI |
InChI=1S/C22H29NO5/c1-14-9-10-18(15(2)11-14)20-23-19(16(3)28-20)8-6-5-7-17-12-26-22(4,21(24)25)27-13-17/h9-11,17H,5-8,12-13H2,1-4H3,(H,24,25)/t17-,22+
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| InChIKey |
MPBCEXSZGSLMSZ-LMTLIKQPSA-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