General Information of the Compound
| Compound ID |
CP0457807
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| Compound Name |
CHEMBL4242040
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| Formula |
C25H22F3N3O2S
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| Molecular Weight |
485.531
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| Canonical SMILES |
FC(F)(F)c1ccc(N[C@H]2CC[C@@H](CC2)S(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1
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| InChI |
InChI=1S/C25H22F3N3O2S/c26-25(27,28)20-7-14-24(30-16-20)31-21-8-12-23(13-9-21)34(32,33)22-10-5-19(6-11-22)18-3-1-17(15-29)2-4-18/h1-7,10-11,14,16,21,23H,8-9,12-13H2,(H,30,31)/t21-,23-
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| InChIKey |
BPDIMDLGVOTPHU-AFARHQOCSA-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: PT01070, C-C chemokine receptor type 1
Protein ID: PT03815, C-C chemokine receptor type 6
Protein ID: PT00660, C-C chemokine receptor type 6
Protein ID: PT03588, C-C chemokine receptor type 7