General Information of the Compound
| Compound ID |
CP0504972
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| Compound Name |
N'-ethyl-N-(1H-indol-5-ylsulfonyl)-2,3,8-triazaspiro[4.5]dec-3-ene-2-carboximidamide
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| Structure |
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| Formula |
C18H24N6O2S
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| Molecular Weight |
388.497
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| Canonical SMILES |
CCN\C(=N/S(=O)(=O)c1ccc2[nH]ccc2c1)N1CC2(CCNCC2)C=N1
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| InChI |
InChI=1S/C18H24N6O2S/c1-2-20-17(24-13-18(12-22-24)6-9-19-10-7-18)23-27(25,26)15-3-4-16-14(11-15)5-8-21-16/h3-5,8,11-12,19,21H,2,6-7,9-10,13H2,1H3,(H,20,23)
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| InChIKey |
IXNHIGPTXXHTOM-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