General Information of the Compound
| Compound ID |
CP0247186
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| Compound Name |
methyl 3-[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-4-methyl-5-(2-pyrrolidin-1-ylethylamino)benzoate
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| Structure |
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| Formula |
C24H31BrN8O2
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| Molecular Weight |
543.47
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| Canonical SMILES |
COC(=O)c1cc(NCCN2CCCC2)c(C)c(c1)N1CCN(CC1)c1ncnc2n[nH]c(Br)c12
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| InChI |
InChI=1S/C24H31BrN8O2/c1-16-18(26-5-8-31-6-3-4-7-31)13-17(24(34)35-2)14-19(16)32-9-11-33(12-10-32)23-20-21(25)29-30-22(20)27-15-28-23/h13-15,26H,3-12H2,1-2H3,(H,27,28,29,30)
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| InChIKey |
UUZYXVMMMLOUNS-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