General Information of the Compound
| Compound ID |
CP0416487
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| Compound Name |
CHEMBL4245355
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| Formula |
C24H23F3N4O3S
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| Molecular Weight |
504.534
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| Canonical SMILES |
NC(=O)c1ccc(cn1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F3N4O3S/c25-24(26,27)17-4-12-22(30-14-17)31-18-5-9-20(10-6-18)35(33,34)19-7-1-15(2-8-19)16-3-11-21(23(28)32)29-13-16/h1-4,7-8,11-14,18,20H,5-6,9-10H2,(H2,28,32)(H,30,31)/t18-,20-
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| InChIKey |
ZHRLWDAVZIRIHH-KESTWPANSA-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: PT00660, C-C chemokine receptor type 6
Protein ID: PT03815, C-C chemokine receptor type 6
Protein ID: PT03588, C-C chemokine receptor type 7