General Information of the Compound
| Compound ID |
CP0504477
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| Compound Name |
10-(benzenesulfonyl)-N-cyclohexyl-5-thia-1,8,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-7-amine
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| Structure |
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| Formula |
C19H19N5O2S2
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| Molecular Weight |
413.528
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| Canonical SMILES |
O=S(=O)(c1nnn2c3ccsc3c(NC3CCCCC3)nc12)c1ccccc1
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| InChI |
InChI=1S/C19H19N5O2S2/c25-28(26,14-9-5-2-6-10-14)19-18-21-17(20-13-7-3-1-4-8-13)16-15(11-12-27-16)24(18)23-22-19/h2,5-6,9-13H,1,3-4,7-8H2,(H,20,21)
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| InChIKey |
WZPLASCIIHQSOL-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