General Information of the Compound
| Compound ID |
CP0413455
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| Compound Name |
US9206198, 3
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| Structure |
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| Formula |
C22H24N2O5
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| Molecular Weight |
396.443
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| Canonical SMILES |
O=C1OCC(=C1)N1CCC2(CCN(CCc3ccc4C(=O)OCc4c3)CC2)C1=O
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| InChI |
InChI=1S/C22H24N2O5/c25-19-12-17(14-28-19)24-10-6-22(21(24)27)4-8-23(9-5-22)7-3-15-1-2-18-16(11-15)13-29-20(18)26/h1-2,11-12H,3-10,13-14H2
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| InChIKey |
VBFIWRFZTGXEBX-UHFFFAOYSA-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