General Information of the Compound
| Compound ID |
CP0387679
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| Compound Name |
CHEMBL1834795
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| Formula |
C23H26F3N7O2S
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| Molecular Weight |
521.569
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| Canonical SMILES |
NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2nccs2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C23H26F3N7O2S/c24-23(25,26)14-3-6-18-17(9-14)20(31-33(18)22(27)35)29-10-19(34)30-15-11-32(12-15)16-4-1-13(2-5-16)21-28-7-8-36-21/h3,6-9,13,15-16H,1-2,4-5,10-12H2,(H2,27,35)(H,29,31)(H,30,34)/t13-,16+
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| InChIKey |
OUBSBSYAMLKCPV-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