General Information of the Compound
| Compound ID |
CP0494299
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| Compound Name |
CHEMBL1834639
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| Formula |
C26H36F3N5O
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| Molecular Weight |
491.602
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| Canonical SMILES |
Cn1nc(NCC(=O)NC2CN(C2)[C@@H]2CC[C@@H](CC2)C2CCCCC2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C26H36F3N5O/c1-33-23-12-9-19(26(27,28)29)13-22(23)25(32-33)30-14-24(35)31-20-15-34(16-20)21-10-7-18(8-11-21)17-5-3-2-4-6-17/h9,12-13,17-18,20-21H,2-8,10-11,14-16H2,1H3,(H,30,32)(H,31,35)/t18-,21+
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| InChIKey |
BPTIGDWWEZBMFT-RVWIWJKTSA-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