General Information of the Compound
| Compound ID |
CP0438304
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| Compound Name |
CHEMBL1829614
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| Formula |
C27H30F3N3O4
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| Molecular Weight |
517.548
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| Canonical SMILES |
COC(=O)c1ccc(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/C27H30F3N3O4/c1-37-26(36)19-7-5-17(6-8-19)18-9-11-23(12-10-18)33-15-22(16-33)32-24(34)14-31-25(35)20-3-2-4-21(13-20)27(28,29)30/h2-8,13,18,22-23H,9-12,14-16H2,1H3,(H,31,35)(H,32,34)/t18-,23-
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| InChIKey |
PUGUKUOQIIUORX-RXAXNXDRSA-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