General Information of the Compound
| Compound ID |
CP0958488
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| Compound Name |
4-Isopropoxy-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridine
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| Structure |
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| Formula |
C19H23N5O2
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| Molecular Weight |
353.426
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| Canonical SMILES |
CC(C)Oc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
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| InChI |
InChI=1S/C19H23N5O2/c1-12(2)26-16-10-17(24-8-9-25-11-13(24)3)22-18-14(16)4-6-20-19(18)15-5-7-21-23-15/h4-7,10,12-13H,8-9,11H2,1-3H3,(H,21,23)/t13-/m1/s1
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| InChIKey |
KHKWQJQESOKKHK-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