General Information of the Compound
| Compound ID |
CP0454987
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| Compound Name |
CHEMBL1834851
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| Formula |
C24H30F3N7O
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| Molecular Weight |
489.546
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| Canonical SMILES |
Cn1ccc(n1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C24H30F3N7O/c1-32-10-9-20(30-32)15-3-6-18(7-4-15)34-13-17(14-34)29-22(35)12-28-23-19-11-16(24(25,26)27)5-8-21(19)33(2)31-23/h5,8-11,15,17-18H,3-4,6-7,12-14H2,1-2H3,(H,28,31)(H,29,35)/t15-,18+
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| InChIKey |
BMLUECIKNCZOMW-RHNCMZPLSA-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