General Information of the Compound
| Compound ID |
CP0499259
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| Compound Name |
CHEMBL1834631
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| Formula |
C25H28F3N5O
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| Molecular Weight |
471.527
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| Canonical SMILES |
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H28F3N5O/c26-25(27,28)18-8-11-22-21(12-18)24(32-31-22)29-13-23(34)30-19-14-33(15-19)20-9-6-17(7-10-20)16-4-2-1-3-5-16/h1-5,8,11-12,17,19-20H,6-7,9-10,13-15H2,(H,30,34)(H2,29,31,32)/t17-,20+
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| InChIKey |
MBQDUNUKUGTDDX-MSEWRSJXSA-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: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2