General Information of the Compound
| Compound ID |
CP0546785
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| Compound Name |
N-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-carbazol-2-amine;hydrochloride
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| Structure |
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| Formula |
C17H23ClN2O
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| Molecular Weight |
306.837
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| Canonical SMILES |
Cl.C1CC(CCO1)NC1CCc2c(C1)[nH]c1ccccc21
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| InChI |
InChI=1S/C17H22N2O.ClH/c1-2-4-16-14(3-1)15-6-5-13(11-17(15)19-16)18-12-7-9-20-10-8-12;/h1-4,12-13,18-19H,5-11H2;1H
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| InChIKey |
KSYCZGHTSFRBDQ-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