General Information of the Compound
| Compound ID |
CP0297911
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| Compound Name |
(3aR,9bS)-3-(3-Chloro-propyl)-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 |
C16H21ClN2O
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| Molecular Weight |
292.81
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| Canonical SMILES |
NC(=O)c1cccc2CC[C@@H]3[C@@H](CCN3CCCCl)c12
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| InChI |
InChI=1S/C16H21ClN2O/c17-8-2-9-19-10-7-12-14(19)6-5-11-3-1-4-13(15(11)12)16(18)20/h1,3-4,12,14H,2,5-10H2,(H2,18,20)/t12-,14-/m1/s1
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| InChIKey |
GEBJBFHSEJGFDJ-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