General Information of the Compound
| Compound ID |
CP0946949
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| Compound Name |
4-Isopropoxy-8-(1H-pyrazol-5-yl)-2-[3-(trifluoromethyl)-morpholin-4-yl]-1,7-naphthyridine
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| Structure |
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| Formula |
C19H20F3N5O2
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| Molecular Weight |
407.396
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| Canonical SMILES |
CC(C)Oc1cc(N2CCOCC2C(F)(F)F)nc2c(-c3ccn[nH]3)nccc12
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| InChI |
InChI=1S/C19H20F3N5O2/c1-11(2)29-14-9-16(27-7-8-28-10-15(27)19(20,21)22)25-17-12(14)3-5-23-18(17)13-4-6-24-26-13/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,24,26)
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| InChIKey |
ZDECBZFMJDZFBJ-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