General Information of the Compound
| Compound ID |
CP0389887
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| Compound Name |
CHEMBL1834852
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| Formula |
C25H28F3N5O3
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| Molecular Weight |
503.525
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| Canonical SMILES |
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1noc2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N5O3/c1-35-23-9-4-16(11-29-23)15-2-6-19(7-3-15)33-13-18(14-33)31-22(34)12-30-24-20-10-17(25(26,27)28)5-8-21(20)36-32-24/h4-5,8-11,15,18-19H,2-3,6-7,12-14H2,1H3,(H,30,32)(H,31,34)/t15-,19+
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| InChIKey |
ZZFKFTVPUSBMNB-GLRZTSSQSA-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