General Information of the Compound
| Compound ID |
CP0450299
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| Compound Name |
US8987473, 88
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| Structure |
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| Formula |
C19H16ClNO4
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| Molecular Weight |
357.793
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| Canonical SMILES |
Cc1cn(Cc2cc3OCOc3cc2Cl)c2cc(CC(O)=O)ccc12
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| InChI |
InChI=1S/C19H16ClNO4/c1-11-8-21(16-4-12(5-19(22)23)2-3-14(11)16)9-13-6-17-18(7-15(13)20)25-10-24-17/h2-4,6-8H,5,9-10H2,1H3,(H,22,23)
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| InChIKey |
VTJVPTHADLRMSL-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