General Information of the Compound
| Compound ID |
CP0432840
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| Compound Name |
1-(3-{[3-(4-aminopiperidin-1-yl)pentan-3-yl]sulfamoyl}-4-chloro-2-hydroxyphenyl)-3-(2-bromophenyl)-2-cyanoguanidine
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| Structure |
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| Formula |
C24H31BrClN7O3S
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| Molecular Weight |
612.982
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| Canonical SMILES |
CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCC(N)CC1
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| InChI |
InChI=1S/C24H31BrClN7O3S/c1-3-24(4-2,33-13-11-16(28)12-14-33)32-37(35,36)22-18(26)9-10-20(21(22)34)31-23(29-15-27)30-19-8-6-5-7-17(19)25/h5-10,16,32,34H,3-4,11-14,28H2,1-2H3,(H2,29,30,31)
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| InChIKey |
MSJKBTMMJKJYHB-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: PT01304, C-X-C chemokine receptor type 1
Protein ID: PT01013, C-X-C chemokine receptor type 2