General Information of the Compound
| Compound ID |
CP0415740
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| Compound Name |
CHEMBL578784
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| Formula |
C21H26F3N5O2
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| Molecular Weight |
437.466
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| Canonical SMILES |
CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(OC(F)(F)F)cc2)n1
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| InChI |
InChI=1S/C21H26F3N5O2/c1-13-12-18(29(2)3)28-20(25-13)27-16-8-6-15(7-9-16)26-19(30)14-4-10-17(11-5-14)31-21(22,23)24/h4-5,10-12,15-16H,6-9H2,1-3H3,(H,26,30)(H,25,27,28)/t15-,16+
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| InChIKey |
IWKUJGHAXCSSRL-IYBDPMFKSA-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