General Information of the Compound
| Compound ID |
CP0529241
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| Compound Name |
US8969325, 124
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| Structure |
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| Formula |
C22H23N3O4
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| Molecular Weight |
393.443
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| Canonical SMILES |
O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc12)Nc1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C22H23N3O4/c26-20-13-28-19-8-7-14(11-16(19)24-20)23-21(27)25-17-12-22(9-3-4-10-22)29-18-6-2-1-5-15(17)18/h1-2,5-8,11,17H,3-4,9-10,12-13H2,(H,24,26)(H2,23,25,27)/t17-/m1/s1
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| InChIKey |
WPCIDEHSSLHYDG-QGZVFWFLSA-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