General Information of the Compound
| Compound ID |
CP0910318
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| Compound Name |
N-(4-(3-azaspiro[5.5]undecan-3-ylsulfonyl)phenyl)-5-nitrofuran-2-carboxamide
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| Structure |
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| Formula |
C21H25N3O6S
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| Molecular Weight |
447.513
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| Canonical SMILES |
O=C(Nc1ccc(S(=O)(=O)N2CCC3(CCCCC3)CC2)cc1)c1ccc([N+](=O)[O-])o1
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| InChI |
InChI=1S/C21H25N3O6S/c25-20(18-8-9-19(30-18)24(26)27)22-16-4-6-17(7-5-16)31(28,29)23-14-12-21(13-15-23)10-2-1-3-11-21/h4-9H,1-3,10-15H2,(H,22,25)
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| InChIKey |
IZEYMPOIFOEGMN-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: PT06113, DNA damage-inducible transcript 3 protein
Protein ID: PT06096, X-box-binding protein 1