General Information of the Compound
| Compound ID |
CP0414465
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| Compound Name |
US9359372, DC037006
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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 |
COc1cc2CCN3Cc4c(C[C@H]3c2cc1OC)cc(OC)c(OC)c4OC
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| InChI |
InChI=1S/C22H27NO5/c1-24-18-9-13-6-7-23-12-16-14(8-17(23)15(13)11-19(18)25-2)10-20(26-3)22(28-5)21(16)27-4/h9-11,17H,6-8,12H2,1-5H3/t17-/m0/s1
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| InChIKey |
OATNPFCRHKFZPA-KRWDZBQOSA-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