General Information of the Compound
| Compound ID |
CP0383616
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| Compound Name |
3-[3-Oxo-3-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenyl]-benzenesulfonamide
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| Structure |
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| Formula |
C19H21N3O3S
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| Molecular Weight |
371.462
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| Canonical SMILES |
Cc1nn(C(=O)\C=C\c2cccc(c2)S(N)(=O)=O)c2C[C@@H]3[C@H](c12)C3(C)C
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| InChI |
InChI=1S/C19H21N3O3S/c1-11-17-15(10-14-18(17)19(14,2)3)22(21-11)16(23)8-7-12-5-4-6-13(9-12)26(20,24)25/h4-9,14,18H,10H2,1-3H3,(H2,20,24,25)/b8-7+/t14-,18-/m1/s1
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| InChIKey |
PUTFWTSPTVZYFR-WXVPVVBVSA-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