General Information of the Compound
| Compound ID |
CP0481108
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| Compound Name |
US9493412, 196
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| Formula |
C22H27N3O4
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| Molecular Weight |
397.475
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| Canonical SMILES |
CN1CC(CC1=O)N1CC(C(=O)N[C@H]2CC[C@H](CC2)c2ccccc2)=C(O)C1=O
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| InChI |
InChI=1S/C22H27N3O4/c1-24-12-17(11-19(24)26)25-13-18(20(27)22(25)29)21(28)23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-6,15-17,27H,7-13H2,1H3,(H,23,28)/t15-,16+,17?
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| InChIKey |
SFUCWHPQMUEFBE-SJPCQFCGSA-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