General Information of the Compound
| Compound ID |
CP0476363
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| Compound Name |
CHEMBL1834645
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| Formula |
C24H32F3N5O2
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| Molecular Weight |
479.547
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| Canonical SMILES |
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@H](COCC=C)CC2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C24H32F3N5O2/c1-3-10-34-15-16-4-7-19(8-5-16)32-13-18(14-32)29-22(33)12-28-23-20-11-17(24(25,26)27)6-9-21(20)31(2)30-23/h3,6,9,11,16,18-19H,1,4-5,7-8,10,12-15H2,2H3,(H,28,30)(H,29,33)/t16-,19+
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| InChIKey |
XSTSZTTUPFLRLY-UWUNEBHHSA-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