General Information of the Compound
| Compound ID |
CP0518770
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| Compound Name |
US11059766, WO2011128279 Ex. 109
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| Structure |
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| Formula |
C20H18FN3O
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| Molecular Weight |
335.382
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| Canonical SMILES |
CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(cn1)C#Cc1cccc(F)c1
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| InChI |
InChI=1S/C20H18FN3O/c1-23-17-6-3-7-18(17)24(20(23)25)19-11-10-15(13-22-19)9-8-14-4-2-5-16(21)12-14/h2,4-5,10-13,17-18H,3,6-7H2,1H3/t17-,18+/m0/s1
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| InChIKey |
CXSRRWDESYDWAM-ZWKOTPCHSA-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