General Information of the Compound
| Compound ID |
CP0489461
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| Compound Name |
N-(2-methoxyethyl)-10-(4-methylphenyl)sulfonyl-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 |
C17H17N5O3S2
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| Molecular Weight |
403.489
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| Canonical SMILES |
COCCNc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C17H17N5O3S2/c1-11-3-5-12(6-4-11)27(23,24)17-16-19-15(18-8-9-25-2)14-13(7-10-26-14)22(16)21-20-17/h3-7,10H,8-9H2,1-2H3,(H,18,19)
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| InChIKey |
SVTXFCXYNLZWGY-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