General Information of the Compound
| Compound ID |
CP0562478
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| Compound Name |
US8969325, 119
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| Structure |
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| Formula |
C18H16ClN3O3
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| Molecular Weight |
357.797
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| Canonical SMILES |
Clc1ccc2[C@@H](CCc2c1)NC(=O)Nc1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C18H16ClN3O3/c19-11-2-4-13-10(7-11)1-5-14(13)22-18(24)20-12-3-6-16-15(8-12)21-17(23)9-25-16/h2-4,6-8,14H,1,5,9H2,(H,21,23)(H2,20,22,24)/t14-/m1/s1
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| InChIKey |
OAHXTALWGIIZPG-CQSZACIVSA-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