General Information of the Compound
| Compound ID |
CP0476365
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| Compound Name |
CHEMBL1834633
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| Formula |
C27H31F3N6O2
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| Molecular Weight |
528.579
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| Canonical SMILES |
NC(=O)Cc1ccc(cc1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1n[nH]c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C27H31F3N6O2/c28-27(29,30)19-7-10-23-22(12-19)26(35-34-23)32-13-25(38)33-20-14-36(15-20)21-8-5-18(6-9-21)17-3-1-16(2-4-17)11-24(31)37/h1-4,7,10,12,18,20-21H,5-6,8-9,11,13-15H2,(H2,31,37)(H,33,38)(H2,32,34,35)/t18-,21+
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| InChIKey |
LJAWGNFSXAWFQQ-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