General Information of the Compound
| Compound ID |
CP0438300
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| Compound Name |
CHEMBL1829613
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| Formula |
C25H28F3N3O3
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| Molecular Weight |
475.511
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| Canonical SMILES |
Oc1ccc(cc1)[C@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N3O3/c26-25(27,28)19-3-1-2-18(12-19)24(34)29-13-23(33)30-20-14-31(15-20)21-8-4-16(5-9-21)17-6-10-22(32)11-7-17/h1-3,6-7,10-12,16,20-21,32H,4-5,8-9,13-15H2,(H,29,34)(H,30,33)/t16-,21-
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| InChIKey |
VJYPOQFOBLLZGR-OQIWPSSASA-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