General Information of the Compound
| Compound ID |
CP0500396
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| Compound Name |
tert-butyl 3-[[[4-(2-fluoro-4-methylsulfonylanilino)-6,7-dimethoxyquinazolin-2-yl]amino]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate
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| Structure |
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| Formula |
C30H38FN5O6S
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| Molecular Weight |
615.728
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| Canonical SMILES |
COc1cc2nc(NCC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(cc3F)S(C)(=O)=O)c2cc1OC
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| InChI |
InChI=1S/C30H38FN5O6S/c1-30(2,3)42-29(37)36-18-7-8-19(36)12-17(11-18)16-32-28-34-24-15-26(41-5)25(40-4)14-21(24)27(35-28)33-23-10-9-20(13-22(23)31)43(6,38)39/h9-10,13-15,17-19H,7-8,11-12,16H2,1-6H3,(H2,32,33,34,35)
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| InChIKey |
GQANSXDPJNTWLQ-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