General Information of the Compound
Compound ID |
CP0402153
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Compound Name |
1-((3bS,4aR)-3,4,4-Trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-heptan-1-one
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Structure |
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Formula |
C17H26N2O
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Molecular Weight |
274.408
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Canonical SMILES |
CCCCCCC(=O)n1nc(C)c2[C@H]3[C@@H](Cc12)C3(C)C
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InChI |
InChI=1S/C17H26N2O/c1-5-6-7-8-9-14(20)19-13-10-12-16(17(12,3)4)15(13)11(2)18-19/h12,16H,5-10H2,1-4H3/t12-,16-/m1/s1
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InChIKey |
GKIQQXJIBCSBLZ-MLGOLLRUSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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