General Information of the Compound
| Compound ID |
CP0512991
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| Compound Name |
CHEMBL1834648
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| Formula |
C22H28F3N5O2
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| Molecular Weight |
451.493
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| Canonical SMILES |
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)OCC=C)c2c1
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| InChI |
InChI=1S/C22H28F3N5O2/c1-2-9-32-17-6-4-16(5-7-17)30-12-15(13-30)27-20(31)11-26-21-18-10-14(22(23,24)25)3-8-19(18)28-29-21/h2-3,8,10,15-17H,1,4-7,9,11-13H2,(H,27,31)(H2,26,28,29)/t16-,17+
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| InChIKey |
USSMAYHMTCOLDZ-CALCHBBNSA-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