General Information of the Compound
| Compound ID |
CP0523840
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| Compound Name |
N-[(2-chlorophenyl)methyl]-10-(4-propan-2-ylphenyl)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 |
C23H20ClN5O2S2
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| Molecular Weight |
498.033
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccccc3Cl)nc12
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| InChI |
InChI=1S/C23H20ClN5O2S2/c1-14(2)15-7-9-17(10-8-15)33(30,31)23-22-26-21(25-13-16-5-3-4-6-18(16)24)20-19(11-12-32-20)29(22)28-27-23/h3-12,14H,13H2,1-2H3,(H,25,26)
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| InChIKey |
IFLOHHXFJUNIGP-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