General Information of the Compound
| Compound ID |
CP0455496
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| Compound Name |
CHEMBL1834786
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| Formula |
C28H35F3N6O
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| Molecular Weight |
528.623
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| Canonical SMILES |
CN(C)c1cccc(c1)[C@@H]1CC[C@@H](CC1)N1CC(C1)NC(=O)CNc1nn(C)c2ccc(cc12)C(F)(F)F
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| InChI |
InChI=1S/C28H35F3N6O/c1-35(2)23-6-4-5-19(13-23)18-7-10-22(11-8-18)37-16-21(17-37)33-26(38)15-32-27-24-14-20(28(29,30)31)9-12-25(24)36(3)34-27/h4-6,9,12-14,18,21-22H,7-8,10-11,15-17H2,1-3H3,(H,32,34)(H,33,38)/t18-,22+
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| InChIKey |
NNTVFWNDCFPONC-CXGRPWHSSA-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