General Information of the Compound
| Compound ID |
CP0472538
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| Compound Name |
CHEMBL1834779
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| Formula |
C25H32F3N5O3
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| Molecular Weight |
507.557
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| Canonical SMILES |
CCOC(=O)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(CC=C)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H32F3N5O3/c1-3-11-33-21-10-7-17(25(26,27)28)12-20(21)23(31-33)29-13-22(34)30-18-14-32(15-18)19-8-5-16(6-9-19)24(35)36-4-2/h3,7,10,12,16,18-19H,1,4-6,8-9,11,13-15H2,2H3,(H,29,31)(H,30,34)/t16-,19+
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| InChIKey |
BDWRIURLGQMQKO-UWUNEBHHSA-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