General Information of the Compound
| Compound ID |
CP0499130
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| Compound Name |
CHEMBL1829622
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| Formula |
C23H26F3N5O2
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| Molecular Weight |
461.488
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1cnccn1
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| InChI |
InChI=1S/C23H26F3N5O2/c24-23(25,26)17-3-1-2-16(10-17)22(33)29-12-21(32)30-18-13-31(14-18)19-6-4-15(5-7-19)20-11-27-8-9-28-20/h1-3,8-11,15,18-19H,4-7,12-14H2,(H,29,33)(H,30,32)/t15-,19-
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| InChIKey |
YCFZQCRYKACGKE-RHDGDCLCSA-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