General Information of the Compound
| Compound ID |
CP0458354
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| Compound Name |
CHEMBL1829616
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| Formula |
C29H35F3N4O2
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| Molecular Weight |
528.619
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)NC1CN(C1)[C@H]1CC[C@@H](CC1)c1ccc(cc1)N1CCCC1
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| InChI |
InChI=1S/C29H35F3N4O2/c30-29(31,32)23-5-3-4-22(16-23)28(38)33-17-27(37)34-24-18-36(19-24)26-12-8-21(9-13-26)20-6-10-25(11-7-20)35-14-1-2-15-35/h3-7,10-11,16,21,24,26H,1-2,8-9,12-15,17-19H2,(H,33,38)(H,34,37)/t21-,26-
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| InChIKey |
JZRORTLHTQXXDH-WVPZODRTSA-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