General Information of the Compound
| Compound ID |
CP0420586
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| Compound Name |
8-chloro-5-piperazin-1-ylpyrido[2,3-b][1,5]benzoxazepine
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| Structure |
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| Formula |
C16H15ClN4O
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| Molecular Weight |
314.776
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| Canonical SMILES |
Clc1ccc2Oc3ncccc3C(=Nc2c1)N1CCNCC1
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| InChI |
InChI=1S/C16H15ClN4O/c17-11-3-4-14-13(10-11)20-15(21-8-6-18-7-9-21)12-2-1-5-19-16(12)22-14/h1-5,10,18H,6-9H2
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| InChIKey |
ZCSQZBVTVLZRJN-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
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A