General Information of the Compound
| Compound ID |
CP0239619
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| Compound Name |
CHEMBL2315921
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| Formula |
C26H28F3N5O2
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| Molecular Weight |
499.537
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| Canonical SMILES |
O[C@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F)c1ccccc1
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| InChI |
InChI=1S/C26H28F3N5O2/c27-26(28,29)18-6-7-22-21(12-18)24(32-16-31-22)30-13-23(35)33-19-14-34(15-19)20-8-10-25(36,11-9-20)17-4-2-1-3-5-17/h1-7,12,16,19-20,36H,8-11,13-15H2,(H,33,35)(H,30,31,32)/t20-,25-
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| InChIKey |
ZTHPXRKJHZNDEX-WBANQOEISA-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