General Information of the Compound
| Compound ID |
CP0377831
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| Compound Name |
5-amino-N-tert-butyl-2-(methylthio)-4-(3-(2-oxo-2-(prop-2-ynylamino)ethylamino)phenyl)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C23H26N6O2S2
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| Molecular Weight |
482.635
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| Canonical SMILES |
CSc1nc(-c2cccc(NCC(=O)NCC#C)c2)c2c(N)c(sc2n1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C23H26N6O2S2/c1-6-10-25-15(30)12-26-14-9-7-8-13(11-14)18-16-17(24)19(20(31)29-23(2,3)4)33-21(16)28-22(27-18)32-5/h1,7-9,11,26H,10,12,24H2,2-5H3,(H,25,30)(H,29,31)
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| InChIKey |
OBTDWDIYUNCNGX-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
Protein ID: PT04565, Follicle-stimulating hormone receptor
Protein ID: PT04434, Lutropin-choriogonadotropic hormone receptor