General Information of the Compound
| Compound ID |
CP0384583
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| Compound Name |
CHEMBL1834636
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| Formula |
C24H27F3N6O2
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| Molecular Weight |
488.514
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| Canonical SMILES |
FC(F)(F)c1ccc2[nH]nc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1
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| InChI |
InChI=1S/C24H27F3N6O2/c25-24(26,27)15-4-9-20-19(11-15)23(31-30-20)28-12-21(34)29-16-13-32(14-16)17-5-7-18(8-6-17)33-10-2-1-3-22(33)35/h1-4,9-11,16-18H,5-8,12-14H2,(H,29,34)(H2,28,30,31)/t17-,18+
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| InChIKey |
OWPZOIUERRHILB-HDICACEKSA-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