General Information of the Compound
| Compound ID |
CP0316072
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| Compound Name |
(3aR,9bS)-3-(2-Methoxy-ethyl)-2,3,3a,4,5,9b-hexahydro-1H-benzo[e]indole-9-carboxylic acid amide
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| Structure |
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| Formula |
C16H22N2O2
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| Molecular Weight |
274.364
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| Canonical SMILES |
COCCN1CC[C@@H]2[C@H]1CCc1cccc(C(N)=O)c21
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| InChI |
InChI=1S/C16H22N2O2/c1-20-10-9-18-8-7-12-14(18)6-5-11-3-2-4-13(15(11)12)16(17)19/h2-4,12,14H,5-10H2,1H3,(H2,17,19)/t12-,14-/m1/s1
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| InChIKey |
FMXNGDVMAZRBJO-TZMCWYRMSA-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