General Information of the Compound
| Compound ID |
CP0572852
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| Compound Name |
(3aR,6aS)-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-5-(1-methylimidazol-2-yl)sulfanyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
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| Structure |
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| Formula |
C19H23N3O3S2
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| Molecular Weight |
405.545
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| Canonical SMILES |
Cn1ccnc1SC1C[C@H]2CN(C[C@H]2C1)S(=O)(=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C19H23N3O3S2/c1-21-6-5-20-19(21)26-16-8-14-11-22(12-15(14)9-16)27(23,24)17-2-3-18-13(10-17)4-7-25-18/h2-3,5-6,10,14-16H,4,7-9,11-12H2,1H3/t14-,15+,16?
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| InChIKey |
CFDDCBTYQFBSRX-XYPWUTKMSA-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