General Information of the Compound
| Compound ID |
CP0902619
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| Compound Name |
4-[2-Methyl-6-(S-methylsulfonimidoyl)pyridin-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 |
C23H25N7O2S
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| Molecular Weight |
463.567
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| Canonical SMILES |
Cc1nc(S(C)(=N)=O)ccc1-c1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
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| InChI |
InChI=1S/C23H25N7O2S/c1-14-13-32-11-10-30(14)20-12-18(16-4-5-21(27-15(16)2)33(3,24)31)17-6-8-25-23(22(17)28-20)19-7-9-26-29-19/h4-9,12,14,24H,10-11,13H2,1-3H3,(H,26,29)/t14-,33?/m1/s1
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| InChIKey |
WEYDDJKJZQNJEX-PXYRPBPISA-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