General Information of the Compound
| Compound ID |
CP0471085
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| Compound Name |
CHEMBL1834797
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| Formula |
C24H29F3N6OS
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| Molecular Weight |
506.598
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| Canonical SMILES |
Cc1ncc(s1)[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/C24H29F3N6OS/c1-14-28-10-21(35-14)15-3-6-18(7-4-15)33-12-17(13-33)30-22(34)11-29-23-19-9-16(24(25,26)27)5-8-20(19)32(2)31-23/h5,8-10,15,17-18H,3-4,6-7,11-13H2,1-2H3,(H,29,31)(H,30,34)/t15-,18+
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| InChIKey |
QESGQSXZLHDYTQ-RHNCMZPLSA-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