General Information of the Compound
| Compound ID |
CP0101476
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| Compound Name |
(3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-9-carboxylic acid dipropylamide
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| Structure |
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| Formula |
C22H34N2O
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| Molecular Weight |
342.527
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCC)c12
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| InChI |
InChI=1S/C22H34N2O/c1-4-13-23-16-12-18-20(23)11-10-17-8-7-9-19(21(17)18)22(25)24(14-5-2)15-6-3/h7-9,18,20H,4-6,10-16H2,1-3H3/t18-,20-/m1/s1
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| InChIKey |
BIWNMNHJFZWZIO-UYAOXDASSA-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