General Information of the Compound
| Compound ID |
CP0380316
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| Compound Name |
5-amino-4-(3-(2-((1-(2-(2-(2-azidoethoxy)ethoxy)ethyl)-1H-1,2,3-triazol-4-yl)methylamino)-2-oxoethylamino)phenyl)-N-tert-butyl-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide
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| Structure |
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| Formula |
C29H38N12O4S2
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| Molecular Weight |
682.837
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| Canonical SMILES |
CSc1nc(-c2cccc(NCC(=O)NCc3cn(CCOCCOCCN=[N+]=[N-])nn3)c2)c2c(N)c(sc2n1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C29H38N12O4S2/c1-29(2,3)37-26(43)25-23(30)22-24(35-28(46-4)36-27(22)47-25)18-6-5-7-19(14-18)32-16-21(42)33-15-20-17-41(40-38-20)9-11-45-13-12-44-10-8-34-39-31/h5-7,14,17,32H,8-13,15-16,30H2,1-4H3,(H,33,42)(H,37,43)
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| InChIKey |
DDRLORATFRULNL-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