General Information of the Compound
| Compound ID |
CP0528642
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| Compound Name |
1-[2-chloro-7-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyrazolo[1,5-a]pyrimidin-6-yl]-3-(5-chloro-6-methoxypyridin-3-yl)urea
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| Formula |
C19H21Cl2N7O3
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| Molecular Weight |
466.329
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| Canonical SMILES |
COc1ncc(NC(=O)Nc2cnc3cc(Cl)nn3c2N2[C@@H](C)COC[C@@H]2C)cc1Cl
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| InChI |
InChI=1S/C19H21Cl2N7O3/c1-10-8-31-9-11(2)27(10)18-14(7-22-16-5-15(21)26-28(16)18)25-19(29)24-12-4-13(20)17(30-3)23-6-12/h4-7,10-11H,8-9H2,1-3H3,(H2,24,25,29)/t10-,11-/m0/s1
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| InChIKey |
JDAYYWUORPZJTM-QWRGUYRKSA-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