General Information of the Compound
| Compound ID |
CP0497222
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| Compound Name |
10-(benzenesulfonyl)-N-(2-phenylethyl)-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 |
C21H17N5O2S2
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| Molecular Weight |
435.534
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| Canonical SMILES |
O=S(=O)(c1nnn2c3ccsc3c(NCCc3ccccc3)nc12)c1ccccc1
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| InChI |
InChI=1S/C21H17N5O2S2/c27-30(28,16-9-5-2-6-10-16)21-20-23-19(22-13-11-15-7-3-1-4-8-15)18-17(12-14-29-18)26(20)25-24-21/h1-10,12,14H,11,13H2,(H,22,23)
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| InChIKey |
VLTFRYSRVOIUMS-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