General Information of the Compound
| Compound ID |
CP0875395
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| Compound Name |
3-(2-Methoxyphenyl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-1Hcyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)propan-1-one
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| Structure |
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| Formula |
C20H24N2O2
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| Molecular Weight |
324.424
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| Canonical SMILES |
COc1ccccc1CCC(=O)n1nc(C)c2c1C[C@@H]1[C@H]2C1(C)C
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| InChI |
InChI=1S/C20H24N2O2/c1-12-18-15(11-14-19(18)20(14,2)3)22(21-12)17(23)10-9-13-7-5-6-8-16(13)24-4/h5-8,14,19H,9-11H2,1-4H3/t14-,19-/m1/s1
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| InChIKey |
MRGXRXVIOQLXSI-AUUYWEPGSA-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