General Information of the Compound
| Compound ID |
CP0455495
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| Compound Name |
CHEMBL2092884
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| Formula |
C25H29F3N6O3
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| Molecular Weight |
518.54
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| Canonical SMILES |
COc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N6O3/c1-37-22-5-3-16(11-29-22)24(36)8-6-18(7-9-24)34-13-17(14-34)31-21(35)12-30-23-19-10-15(25(26,27)28)2-4-20(19)32-33-23/h2-5,10-11,17-18,36H,6-9,12-14H2,1H3,(H,31,35)(H2,30,32,33)/t18-,24-
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| InChIKey |
PCADRQQNOPBVHT-XZMJRDFISA-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