General Information of the Compound
| Compound ID |
CP0699892
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| Compound Name |
US9073922, 186
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| Structure |
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| Formula |
C22H24FN3O3
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| Molecular Weight |
397.45
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| Canonical SMILES |
COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CCN(CC(O)CO)CC3)cc12
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| InChI |
InChI=1S/C22H24FN3O3/c1-29-21-3-2-15(23)10-18(21)17-4-7-24-22-19(17)11-20(25-22)14-5-8-26(9-6-14)12-16(28)13-27/h2-5,7,10-11,16,27-28H,6,8-9,12-13H2,1H3,(H,24,25)
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| InChIKey |
NDLAFOKSJSLKGG-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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Table of Molecular Bioactivities Related to the Compound