General Information of the Compound
| Compound ID |
CP0946950
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| Compound Name |
4-(2-Fluoropyridin-3-yl)-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
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| Structure |
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| Formula |
C21H19FN6O
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| Molecular Weight |
390.422
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(-c2cccnc2F)c2ccnc(-c3ccn[nH]3)c2n1
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| InChI |
InChI=1S/C21H19FN6O/c1-13-12-29-10-9-28(13)18-11-16(15-3-2-6-24-21(15)22)14-4-7-23-20(19(14)26-18)17-5-8-25-27-17/h2-8,11,13H,9-10,12H2,1H3,(H,25,27)/t13-/m1/s1
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| InChIKey |
IBZFTEIXMCWYFZ-CYBMUJFWSA-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