General Information of the Compound
| Compound ID |
CP0499257
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| Compound Name |
CHEMBL1834718
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| Formula |
C27H29F3N6O4
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| Molecular Weight |
558.561
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| Canonical SMILES |
NC(=O)n1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)c2ccc3OCOc3c2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C27H29F3N6O4/c28-27(29,30)17-4-7-21-20(10-17)25(34-36(21)26(31)38)32-11-24(37)33-18-12-35(13-18)19-5-1-15(2-6-19)16-3-8-22-23(9-16)40-14-39-22/h3-4,7-10,15,18-19H,1-2,5-6,11-14H2,(H2,31,38)(H,32,34)(H,33,37)/t15-,19+
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| InChIKey |
DFOPMFXQYWVKQK-GLRZTSSQSA-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