General Information of the Compound
| Compound ID |
CP0554824
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| Compound Name |
N'-ethyl-N-(1H-indazol-5-ylsulfonyl)-2,3-diazaspiro[4.4]non-3-ene-2-carboximidamide
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| Structure |
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| Formula |
C17H22N6O2S
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| Molecular Weight |
374.47
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| Canonical SMILES |
CCN\C(=N/S(=O)(=O)c1ccc2[nH]ncc2c1)N1CC2(CCCC2)C=N1
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| InChI |
InChI=1S/C17H22N6O2S/c1-2-18-16(23-12-17(11-20-23)7-3-4-8-17)22-26(24,25)14-5-6-15-13(9-14)10-19-21-15/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,18,22)(H,19,21)
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| InChIKey |
RGYUHWISLHLCCL-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