General Information of the Compound
| Compound ID |
CP0476364
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| Compound Name |
CHEMBL1834634
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| Formula |
C25H29F3N6O2
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| Molecular Weight |
502.541
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| Canonical SMILES |
COc1ccc(cn1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C25H29F3N6O2/c1-36-23-9-4-16(11-29-23)15-2-6-19(7-3-15)34-13-18(14-34)31-22(35)12-30-24-20-10-17(25(26,27)28)5-8-21(20)32-33-24/h4-5,8-11,15,18-19H,2-3,6-7,12-14H2,1H3,(H,31,35)(H2,30,32,33)/t15-,19+
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| InChIKey |
WANRYTYAXACNHP-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