General Information of the Compound
| Compound ID |
CP0473587
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| Compound Name |
CHEMBL1829615
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| Formula |
C26H28F3N3O4
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| Molecular Weight |
503.521
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| Canonical SMILES |
OC(=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/C26H28F3N3O4/c27-26(28,29)20-3-1-2-19(12-20)24(34)30-13-23(33)31-21-14-32(15-21)22-10-8-17(9-11-22)16-4-6-18(7-5-16)25(35)36/h1-7,12,17,21-22H,8-11,13-15H2,(H,30,34)(H,31,33)(H,35,36)/t17-,22-
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| InChIKey |
GSASYNLMWPJCFM-VVOJOOEHSA-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