General Information of the Compound
| Compound ID |
CP0396532
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| Compound Name |
CHEMBL2204252
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| Formula |
C28H35F3N4O4
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| Molecular Weight |
548.606
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| Canonical SMILES |
CC(C)(C)Oc1ccc(cn1)[C@]1(O)CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C28H35F3N4O4/c1-26(2,3)39-24-8-7-20(14-32-24)27(38)11-9-22(10-12-27)35-16-21(17-35)34-23(36)15-33-25(37)18-5-4-6-19(13-18)28(29,30)31/h4-8,13-14,21-22,38H,9-12,15-17H2,1-3H3,(H,33,37)(H,34,36)/t22-,27-
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| InChIKey |
KODLQRCYGZOTLD-MGFGWZDJSA-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