General Information of the Compound
| Compound ID |
CP0958487
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| Compound Name |
2-[(3R)-3-Methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-4-(tetrahydro-2H-pyran-4-yl)-1,7-naphthyridine
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| Structure |
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| Formula |
C21H25N5O2
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| Molecular Weight |
379.464
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| Canonical SMILES |
C[C@@H]1COCCN1c1cc(C2CCOCC2)c2ccnc(-c3ccn[nH]3)c2n1
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| InChI |
InChI=1S/C21H25N5O2/c1-14-13-28-11-8-26(14)19-12-17(15-4-9-27-10-5-15)16-2-6-22-21(20(16)24-19)18-3-7-23-25-18/h2-3,6-7,12,14-15H,4-5,8-11,13H2,1H3,(H,23,25)/t14-/m1/s1
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| InChIKey |
QCOPMJSHRBYTRK-CQSZACIVSA-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