General Information of the Compound
| Compound ID |
CP0400090
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| Compound Name |
7-chloro-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridin-8-ol
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| Structure |
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| Formula |
C12H14ClNO
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| Molecular Weight |
223.703
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| Canonical SMILES |
Oc1cc2C3NCCCC3Cc2cc1Cl
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| InChI |
InChI=1S/C12H14ClNO/c13-10-5-8-4-7-2-1-3-14-12(7)9(8)6-11(10)15/h5-7,12,14-15H,1-4H2
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| InChIKey |
XHDNAIUOGWZVTP-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: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B