General Information of the Compound
| Compound ID |
CP0487161
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| Compound Name |
(5-chloro-1H-indol-2-yl)-(3-pyrrolidin-1-ylazetidin-1-yl)methanone
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| Structure |
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| Formula |
C16H18ClN3O
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| Molecular Weight |
303.793
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| Canonical SMILES |
Clc1ccc2[nH]c(cc2c1)C(=O)N1CC(C1)N1CCCC1
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| InChI |
InChI=1S/C16H18ClN3O/c17-12-3-4-14-11(7-12)8-15(18-14)16(21)20-9-13(10-20)19-5-1-2-6-19/h3-4,7-8,13,18H,1-2,5-6,9-10H2
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| InChIKey |
OVBHTJIYFFOHIM-UHFFFAOYSA-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