General Information of the Compound
| Compound ID |
CP0202116
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| Compound Name |
2-[[2-(2,4-diketo-6-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester
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| Structure |
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| Formula |
C24H26FN3O5S
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| Molecular Weight |
487.553
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| Canonical SMILES |
CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3C)C2=O)scc1-c1ccc(F)cc1
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| InChI |
InChI=1S/C24H26FN3O5S/c1-3-33-21(30)19-17(15-7-9-16(25)10-8-15)13-34-20(19)26-18(29)12-28-22(31)24(27-23(28)32)11-5-4-6-14(24)2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,26,29)(H,27,32)
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| InChIKey |
VQSHZRBERVIJRT-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: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8