General Information of the Compound
| Compound ID |
CP0318895
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| Compound Name |
CHEMBL2315940
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| Formula |
C25H25F3N6O2S
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| Molecular Weight |
530.576
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1cc(nc2ccc(cc12)C(F)(F)F)C#N)c1cncs1
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| InChI |
InChI=1S/C25H25F3N6O2S/c26-25(27,28)15-1-2-20-19(7-15)21(8-16(9-29)32-20)31-11-23(35)33-17-12-34(13-17)18-3-5-24(36,6-4-18)22-10-30-14-37-22/h1-2,7-8,10,14,17-18,36H,3-6,11-13H2,(H,31,32)(H,33,35)/t18-,24-
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| InChIKey |
PLXXDDSZFXMDTO-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: PT05251, C-C chemokine receptor-like 2