General Information of the Compound
| Compound ID |
CP0452300
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| Compound Name |
CHEMBL1829631
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| Formula |
C27H33F3N4O3
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| Molecular Weight |
518.58
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| Canonical SMILES |
CN(C)c1cccc(c1)[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/C27H33F3N4O3/c1-33(2)23-8-4-6-19(14-23)26(37)11-9-22(10-12-26)34-16-21(17-34)32-24(35)15-31-25(36)18-5-3-7-20(13-18)27(28,29)30/h3-8,13-14,21-22,37H,9-12,15-17H2,1-2H3,(H,31,36)(H,32,35)/t22-,26+
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| InChIKey |
DUXDQMNXPCZQLV-HNACLESGSA-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