General Information of the Compound
| Compound ID |
CP0494875
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| Compound Name |
US9249085, I(ah)
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| Structure |
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| Formula |
C22H19F2NO4
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| Molecular Weight |
399.393
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| Canonical SMILES |
Cc1c(OCC(O)=O)ccc(F)c1NCc1cc(O)cc(c1)-c1cccc(F)c1
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| InChI |
InChI=1S/C22H19F2NO4/c1-13-20(29-12-21(27)28)6-5-19(24)22(13)25-11-14-7-16(10-18(26)8-14)15-3-2-4-17(23)9-15/h2-10,25-26H,11-12H2,1H3,(H,27,28)
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| InChIKey |
OBGMMHCMQTXJRU-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