General Information of the Compound
| Compound ID |
CP0494297
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| Compound Name |
CHEMBL1834642
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| Formula |
C21H27F3N6O2
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| Molecular Weight |
452.481
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| Canonical SMILES |
Cn1nc(NCC(=O)NC2CN(C2)[C@H]2CC[C@H](CC2)C(N)=O)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C21H27F3N6O2/c1-29-17-7-4-13(21(22,23)24)8-16(17)20(28-29)26-9-18(31)27-14-10-30(11-14)15-5-2-12(3-6-15)19(25)32/h4,7-8,12,14-15H,2-3,5-6,9-11H2,1H3,(H2,25,32)(H,26,28)(H,27,31)/t12-,15+
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| InChIKey |
AFBZMWCSHPIYMB-JNSHFYNHSA-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