General Information of the Compound
| Compound ID |
CP0022488
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| Compound Name |
CAS_94535-50-9
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| Structure |
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| Formula |
C16H18N2O3
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| Molecular Weight |
286.331
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2C(C1O)N1CCCC1=O)C#N
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| InChI |
InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H,3-4,7H2,1-2H3
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| InChIKey |
TVZCRIROJQEVOT-UHFFFAOYSA-N
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| CAS |
94470-67-4
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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