General Information of the Compound
| Compound ID |
CP0508629
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| Compound Name |
CHEMBL1829603
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| Formula |
C24H27F3N4O3
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| Molecular Weight |
476.499
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| Canonical SMILES |
O[C@@]1(CC[C@@H](CC1)N1CC(C1)NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1cccnc1
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| InChI |
InChI=1S/C24H27F3N4O3/c25-24(26,27)17-4-1-3-16(11-17)22(33)29-13-21(32)30-19-14-31(15-19)20-6-8-23(34,9-7-20)18-5-2-10-28-12-18/h1-5,10-12,19-20,34H,6-9,13-15H2,(H,29,33)(H,30,32)/t20-,23+
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| InChIKey |
YBQZLWPFQRLDTC-UHGJSFDGSA-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