General Information of the Compound
| Compound ID |
CP0220979
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| Compound Name |
(3aR,9bS)-3-Propyl-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-9-carboxylic acid propylamide
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| Structure |
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| Formula |
C19H28N2O
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| Molecular Weight |
300.446
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| Canonical SMILES |
CCCNC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCC)c12
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| InChI |
InChI=1S/C19H28N2O/c1-3-11-20-19(22)16-7-5-6-14-8-9-17-15(18(14)16)10-13-21(17)12-4-2/h5-7,15,17H,3-4,8-13H2,1-2H3,(H,20,22)/t15-,17-/m1/s1
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| InChIKey |
ONKLJYZLUGVESH-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