General Information of the Compound
| Compound ID |
CP0551333
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| Compound Name |
US8962837, 12
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| Structure |
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| Formula |
C16H16Cl2FN3O2
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| Molecular Weight |
372.227
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| Canonical SMILES |
Cn1cc(Cl)nc(N2CCC(CC2)Oc2cc(F)ccc2Cl)c1=O
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| InChI |
InChI=1S/C16H16Cl2FN3O2/c1-21-9-14(18)20-15(16(21)23)22-6-4-11(5-7-22)24-13-8-10(19)2-3-12(13)17/h2-3,8-9,11H,4-7H2,1H3
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| InChIKey |
HEVPXHKRZONDAX-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