General Information of the Compound
| Compound ID |
CP0489463
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| Compound Name |
CHEMBL3126048
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| Formula |
C22H24F2N4O2
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| Molecular Weight |
414.456
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| Canonical SMILES |
Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCNC2=O)nc1
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| InChI |
InChI=1S/C22H24F2N4O2/c23-17-10-16(11-18(24)12-17)15-4-7-20(26-13-15)27-21(29)14-2-5-19(6-3-14)28-9-1-8-25-22(28)30/h4,7,10-14,19H,1-3,5-6,8-9H2,(H,25,30)(H,26,27,29)/t14-,19+
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| InChIKey |
VIWGHBNGJGMYAO-DHFPXDALSA-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