General Information of the Compound
| Compound ID |
CP0535938
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| Compound Name |
US9493412, 218
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| Structure |
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| Formula |
C22H22N2O3
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| Molecular Weight |
362.429
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| Canonical SMILES |
CCN1CC(C(=O)N[C@@H]2CCc3cc(ccc23)-c2ccccc2)=C(O)C1=O
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| InChI |
InChI=1S/C22H22N2O3/c1-2-24-13-18(20(25)22(24)27)21(26)23-19-11-9-16-12-15(8-10-17(16)19)14-6-4-3-5-7-14/h3-8,10,12,19,25H,2,9,11,13H2,1H3,(H,23,26)/t19-/m1/s1
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| InChIKey |
BELHBDAPHQNEMY-LJQANCHMSA-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