General Information of the Compound
| Compound ID |
CP0860304
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| Compound Name |
(S)-3-(Isopropyl-propyl-amino)-chroman-5-carboxylic acid isopropylamide
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| Structure |
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| Formula |
C19H30N2O2
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| Molecular Weight |
318.461
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| Canonical SMILES |
CCCN(C(C)C)[C@@H]1COc2cccc(C(=O)NC(C)C)c2C1
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| InChI |
InChI=1S/C19H30N2O2/c1-6-10-21(14(4)5)15-11-17-16(19(22)20-13(2)3)8-7-9-18(17)23-12-15/h7-9,13-15H,6,10-12H2,1-5H3,(H,20,22)/t15-/m0/s1
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| InChIKey |
UEAKCKJAKUFIQP-HNNXBMFYSA-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