General Information of the Compound
| Compound ID |
CP0396136
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| Compound Name |
1-[2-chloro-6-(cyclopropylmethoxy)pyridin-4-yl]-3-[(1,3-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridin-6-yl)amino]urea
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| Structure |
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| Formula |
C21H26ClN7O2
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| Molecular Weight |
443.939
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| Canonical SMILES |
CC(C)c1cc(NNC(=O)Nc2cc(Cl)nc(OCC3CC3)c2)nc2n(C)nc(C)c12
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| InChI |
InChI=1S/C21H26ClN7O2/c1-11(2)15-9-17(25-20-19(15)12(3)28-29(20)4)26-27-21(30)23-14-7-16(22)24-18(8-14)31-10-13-5-6-13/h7-9,11,13H,5-6,10H2,1-4H3,(H,25,26)(H2,23,24,27,30)
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| InChIKey |
KATYKXXGQBFJLO-UHFFFAOYSA-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
Protein ID: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3