General Information of the Compound
| Compound ID |
CP0416635
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| Compound Name |
10-(benzenesulfonyl)-N-(furan-2-ylmethyl)-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 |
C18H13N5O3S2
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| Molecular Weight |
411.468
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| Canonical SMILES |
O=S(=O)(c1nnn2c3ccsc3c(NCc3ccco3)nc12)c1ccccc1
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| InChI |
InChI=1S/C18H13N5O3S2/c24-28(25,13-6-2-1-3-7-13)18-17-20-16(19-11-12-5-4-9-26-12)15-14(8-10-27-15)23(17)22-21-18/h1-10H,11H2,(H,19,20)
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| InChIKey |
NYRRFNOGJYMDLC-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