General Information of the Compound
| Compound ID |
CP0472540
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| Compound Name |
CHEMBL1834643
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| Formula |
C21H28F3N5O2
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| Molecular Weight |
439.482
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| Canonical SMILES |
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@H](CO)CC2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C21H28F3N5O2/c1-28-18-7-4-14(21(22,23)24)8-17(18)20(27-28)25-9-19(31)26-15-10-29(11-15)16-5-2-13(12-30)3-6-16/h4,7-8,13,15-16,30H,2-3,5-6,9-12H2,1H3,(H,25,27)(H,26,31)/t13-,16+
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| InChIKey |
LDEUNNVWDAAUOC-AKAXFMLLSA-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