General Information of the Compound
| Compound ID |
CP0499427
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| Compound Name |
CHEMBL2204255
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| Formula |
C23H28F3N5O3
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| Molecular Weight |
479.503
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| Canonical SMILES |
Cn1ccnc1[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/C23H28F3N5O3/c1-30-10-9-27-21(30)22(34)7-5-18(6-8-22)31-13-17(14-31)29-19(32)12-28-20(33)15-3-2-4-16(11-15)23(24,25)26/h2-4,9-11,17-18,34H,5-8,12-14H2,1H3,(H,28,33)(H,29,32)/t18-,22-
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| InChIKey |
BIRGTUSYQWQJLK-LBZQVFOQSA-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