General Information of the Compound
| Compound ID |
CP0482955
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| Compound Name |
3-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-propylamine
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| Structure |
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| Formula |
C17H20N2
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| Molecular Weight |
252.361
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| Canonical SMILES |
NCCCN1c2ccccc2CCc2ccccc12
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| InChI |
InChI=1S/C17H20N2/c18-12-5-13-19-16-8-3-1-6-14(16)10-11-15-7-2-4-9-17(15)19/h1-4,6-9H,5,10-13,18H2
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| InChIKey |
XJWJQDZWUYUIEM-UHFFFAOYSA-N
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| CAS |
2095-95-6
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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