General Information of the Compound
| Compound ID |
CP0292584
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| Compound Name |
1-((3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indol-9-yl)-butan-1-one
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| Structure |
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| Formula |
C19H27NO
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| Molecular Weight |
285.431
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| Canonical SMILES |
CCCN1CC[C@@H]2[C@H]1CCc1cccc(C(=O)CCC)c21
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| InChI |
InChI=1S/C19H27NO/c1-3-6-18(21)16-8-5-7-14-9-10-17-15(19(14)16)11-13-20(17)12-4-2/h5,7-8,15,17H,3-4,6,9-13H2,1-2H3/t15-,17-/m1/s1
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| InChIKey |
CDPZOLAASNARLZ-NVXWUHKLSA-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