General Information of the Compound
| Compound ID |
CP0884823
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| Compound Name |
(R)-3-(Ethyl-isopropyl-amino)-chroman-5-carboxylic acid isopropylamide
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| Structure |
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| Formula |
C18H28N2O2
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| Molecular Weight |
304.434
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| Canonical SMILES |
CCN(C(C)C)[C@H]1COc2cccc(C(=O)NC(C)C)c2C1
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| InChI |
InChI=1S/C18H28N2O2/c1-6-20(13(4)5)14-10-16-15(18(21)19-12(2)3)8-7-9-17(16)22-11-14/h7-9,12-14H,6,10-11H2,1-5H3,(H,19,21)/t14-/m1/s1
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| InChIKey |
HHGVGUFLXPKXPZ-CQSZACIVSA-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