General Information of the Compound
| Compound ID |
CP0793949
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| Compound Name |
SID22408051
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| Structure |
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| Formula |
C27H22N2O3S
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| Molecular Weight |
454.551
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| Canonical SMILES |
O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)Nc1ccccc1
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| InChI |
InChI=1S/C27H22N2O3S/c30-24(28-19-9-2-1-3-10-19)17-32-27(31)25-21-12-4-5-14-23(21)29-26-18(8-6-13-22(25)26)16-20-11-7-15-33-20/h1-5,7,9-12,14-16H,6,8,13,17H2,(H,28,30)/b18-16-
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| InChIKey |
CGYIUMHUNJWRHG-VLGSPTGOSA-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: PT06172, Mothers against decapentaplegic homolog 3