General Information of the Compound
| Compound ID |
CP0404812
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| Compound Name |
N-[[4-[[[4-(dimethylamino)quinazolin-2-yl]amino]methyl]cyclohexyl]methyl]octane-1-sulfonamide
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| Structure |
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| Formula |
C26H43N5O2S
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| Molecular Weight |
489.73
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| Canonical SMILES |
CCCCCCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1
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| InChI |
InChI=1S/C26H43N5O2S/c1-4-5-6-7-8-11-18-34(32,33)28-20-22-16-14-21(15-17-22)19-27-26-29-24-13-10-9-12-23(24)25(30-26)31(2)3/h9-10,12-13,21-22,28H,4-8,11,14-20H2,1-3H3,(H,27,29,30)
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| InChIKey |
FSZMHDDJNFQDCT-UHFFFAOYSA-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