General Information of the Compound
| Compound ID |
CP0402280
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| Compound Name |
(3bS,4aR)-3,4,4-Trimethyl-1-[(2-phenyl)-ethenesulfonyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole
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| Structure |
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| Formula |
C18H20N2O2S
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| Molecular Weight |
328.437
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| Canonical SMILES |
Cc1nn(c2C[C@@H]3[C@H](c12)C3(C)C)S(=O)(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C18H20N2O2S/c1-12-16-15(11-14-17(16)18(14,2)3)20(19-12)23(21,22)10-9-13-7-5-4-6-8-13/h4-10,14,17H,11H2,1-3H3/b10-9+/t14-,17-/m1/s1
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| InChIKey |
ZMMBHROVKDGNDE-HVMBIVEYSA-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