General Information of the Compound
| Compound ID |
CP0823240
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| Compound Name |
(R)-2-[(Hexylamino)methyl]chroman-7-ol oxalate
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| Structure |
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| Formula |
C18H27NO6
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| Molecular Weight |
353.415
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| Canonical SMILES |
CCCCCCNC[C@H]1CCc2ccc(O)cc2O1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C16H25NO2.C2H2O4/c1-2-3-4-5-10-17-12-15-9-7-13-6-8-14(18)11-16(13)19-15;3-1(4)2(5)6/h6,8,11,15,17-18H,2-5,7,9-10,12H2,1H3;(H,3,4)(H,5,6)/t15-;/m1./s1
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| InChIKey |
GCAJXYRTVDUMNQ-XFULWGLBSA-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