General Information of the Compound
| Compound ID |
CP0456074
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| Compound Name |
CHEMBL1834787
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| Formula |
C24H27F3N6O
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| Molecular Weight |
472.515
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| Canonical SMILES |
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)c3cccnc3)c2c1
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| InChI |
InChI=1S/C24H27F3N6O/c25-24(26,27)17-5-8-21-20(10-17)23(32-31-21)29-12-22(34)30-18-13-33(14-18)19-6-3-15(4-7-19)16-2-1-9-28-11-16/h1-2,5,8-11,15,18-19H,3-4,6-7,12-14H2,(H,30,34)(H2,29,31,32)/t15-,19+
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| InChIKey |
YXXGTVBNVRVOKC-GLRZTSSQSA-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