General Information of the Compound
| Compound ID |
CP0452601
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| Compound Name |
US9056836, 10
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| Structure |
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| Formula |
C22H29NO5
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| Molecular Weight |
387.476
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| Canonical SMILES |
OC(=O)CCC[C@]12CCN(CC3CC3)[C@H](Cc3ccc(O)cc13)[C@@H]2CC(O)=O
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| InChI |
InChI=1S/C22H29NO5/c24-16-6-5-15-10-19-18(12-21(27)28)22(17(15)11-16,7-1-2-20(25)26)8-9-23(19)13-14-3-4-14/h5-6,11,14,18-19,24H,1-4,7-10,12-13H2,(H,25,26)(H,27,28)/t18-,19+,22-/m0/s1
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| InChIKey |
SMCHHBDIAXVTAE-JQVVWYNYSA-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