General Information of the Compound
| Compound ID |
CP0483039
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| Compound Name |
US9388162, 9
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| Structure |
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| Formula |
C22H27NO5
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| Molecular Weight |
385.46
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| Canonical SMILES |
OC(=O)C[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O
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| InChI |
InChI=1S/C22H27NO5/c24-16-4-3-14-7-19-22(28)10-15(8-20(26)27)18(25)11-21(22,17(14)9-16)5-6-23(19)12-13-1-2-13/h3-4,9,13,15,19,24,28H,1-2,5-8,10-12H2,(H,26,27)/t15-,19+,21+,22+/m0/s1
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| InChIKey |
BJGBQCZIGZLDSJ-SFPRVHAESA-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