General Information of the Compound
Compound ID |
CP0373161
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Compound Name |
N-(cyclopropylmethyl)-3-(2,4-dichlorophenyl)-1-ethyl-5-methyl-N-propylpyrazolo[4,3-b]pyridin-7-amine
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Structure |
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Formula |
C22H26Cl2N4
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Molecular Weight |
417.384
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Canonical SMILES |
CCCN(CC1CC1)c1cc(C)nc2c(nn(CC)c12)-c1ccc(Cl)cc1Cl
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InChI |
InChI=1S/C22H26Cl2N4/c1-4-10-27(13-15-6-7-15)19-11-14(3)25-21-20(26-28(5-2)22(19)21)17-9-8-16(23)12-18(17)24/h8-9,11-12,15H,4-7,10,13H2,1-3H3
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InChIKey |
XWHKYGPZURTBQQ-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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