General Information of the Compound
| Compound ID |
CP0438478
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| Compound Name |
Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-(1-methyl-pyrrolidin-2-ylmethyl)-amine
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| Structure |
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| Formula |
C24H31Cl2N5
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| Molecular Weight |
460.453
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| Canonical SMILES |
CCCCN(CC1CCCN1C)c1cc(C)nc2c(nn(C)c12)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C24H31Cl2N5/c1-5-6-12-31(15-18-8-7-11-29(18)3)21-13-16(2)27-23-22(28-30(4)24(21)23)19-10-9-17(25)14-20(19)26/h9-10,13-14,18H,5-8,11-12,15H2,1-4H3
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| InChIKey |
DAVLJXKSTZMNGU-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