General Information of the Compound
| Compound ID |
CP0498750
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| Compound Name |
CHEMBL1834784
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| Formula |
C27H36F3N5O3
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| Molecular Weight |
535.611
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| Canonical SMILES |
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C2CCCC2)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C27H36F3N5O3/c1-2-38-26(37)17-7-10-20(11-8-17)34-15-19(16-34)32-24(36)14-31-25-22-13-18(27(28,29)30)9-12-23(22)35(33-25)21-5-3-4-6-21/h9,12-13,17,19-21H,2-8,10-11,14-16H2,1H3,(H,31,33)(H,32,36)/t17-,20+
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| InChIKey |
FYZNJPJSHPKWIX-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