General Information of the Compound
| Compound ID |
CP0681545
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| Compound Name |
1-(6-((2-(Dimethylamino)ethyl)(methyl)amino)-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridine-5-carbonyl)-3-(3-isopropoxyphenyl)urea Hydrochloride
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| Structure |
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| Formula |
C24H34ClN7O3
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| Molecular Weight |
504.035
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| Canonical SMILES |
Cc1nn(C)c2nc(N(C)CCN(C)C)c(C(=O)NC(=O)Nc3cccc(OC(C)C)c3)cc12.Cl
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| InChI |
InChI=1S/C24H33N7O3.ClH/c1-15(2)34-18-10-8-9-17(13-18)25-24(33)27-23(32)20-14-19-16(3)28-31(7)22(19)26-21(20)30(6)12-11-29(4)5;/h8-10,13-15H,11-12H2,1-7H3,(H2,25,27,32,33);1H
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| InChIKey |
CXQUYODBFIUPEH-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT01215, C-C chemokine receptor type 3
Protein ID: PT01508, C-C chemokine receptor type 4
Protein ID: PT00903, C-C chemokine receptor type 5