General Information of the Compound
| Compound ID |
CP0423312
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| Compound Name |
US9206198, 66
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| Structure |
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| Formula |
C25H30N2O6
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| Molecular Weight |
454.523
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| Canonical SMILES |
CCC1CC2(CCN(C[C@H](O)c3ccc4C(=O)OCc4c3C)CC2)C(=O)N1C1=CC(=O)OC1
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| InChI |
InChI=1S/C25H30N2O6/c1-3-16-11-25(24(31)27(16)17-10-22(29)32-13-17)6-8-26(9-7-25)12-21(28)18-4-5-19-20(15(18)2)14-33-23(19)30/h4-5,10,16,21,28H,3,6-9,11-14H2,1-2H3/t16?,21-/m0/s1
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| InChIKey |
OGTISSLCALEKCM-MRNPHLECSA-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