General Information of the Compound
| Compound ID |
CP0402281
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| Compound Name |
3-(3,4-Dimethoxy-phenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenone
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| Structure |
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| Formula |
C21H24N2O3
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| Molecular Weight |
352.434
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)n2nc(C)c3[C@H]4[C@@H](Cc23)C4(C)C)cc1OC
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| InChI |
InChI=1S/C21H24N2O3/c1-12-19-15(11-14-20(19)21(14,2)3)23(22-12)18(24)9-7-13-6-8-16(25-4)17(10-13)26-5/h6-10,14,20H,11H2,1-5H3/b9-7+/t14-,20-/m1/s1
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| InChIKey |
VUKYWEMGKPJSJA-IVYBTYKASA-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