General Information of the Compound
| Compound ID |
CP0165766
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| Compound Name |
3-[1-(benzenesulfonyl)piperidin-4-yl]-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
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| Structure |
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| Formula |
C19H19N5O2S
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| Molecular Weight |
381.461
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| Canonical SMILES |
O=S(=O)(N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12)c1ccccc1
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| InChI |
InChI=1S/C19H19N5O2S/c25-27(26,15-4-2-1-3-5-15)23-10-7-14(8-11-23)24-13-22-17-12-21-19-16(18(17)24)6-9-20-19/h1-6,9,12-14H,7-8,10-11H2,(H,20,21)
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| InChIKey |
YBXKHICGEVIRLH-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