General Information of the Compound
| Compound ID |
CP0389104
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| Compound Name |
CHEMBL1829617
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| Formula |
C26H28F3N5O2
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| Molecular Weight |
499.537
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc2nc[nH]c2c1
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| InChI |
InChI=1S/C26H28F3N5O2/c27-26(28,29)19-3-1-2-18(10-19)25(36)30-12-24(35)33-20-13-34(14-20)21-7-4-16(5-8-21)17-6-9-22-23(11-17)32-15-31-22/h1-3,6,9-11,15-16,20-21H,4-5,7-8,12-14H2,(H,30,36)(H,31,32)(H,33,35)/t16-,21-
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| InChIKey |
VKTHBCCPYLGDJQ-OQIWPSSASA-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