General Information of the Compound
| Compound ID |
CP0500611
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| Compound Name |
CHEMBL568208
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| Formula |
C21H27F2N5O
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| Molecular Weight |
403.477
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2ccc(F)c(F)c2)nc(C)c1C
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| InChI |
InChI=1S/C21H27F2N5O/c1-12-13(2)24-21(27-19(12)28(3)4)26-16-8-6-15(7-9-16)25-20(29)14-5-10-17(22)18(23)11-14/h5,10-11,15-16H,6-9H2,1-4H3,(H,25,29)(H,24,26,27)/t15-,16+
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| InChIKey |
HVRQYIICIVLLPU-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