General Information of the Compound
| Compound ID |
CP0425913
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| Compound Name |
CHEMBL3394404
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| Formula |
C22H31N3O3
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| Molecular Weight |
385.508
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| Canonical SMILES |
OCC1CCN(CC1)c1cccc(n1)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
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| InChI |
InChI=1S/C22H31N3O3/c26-13-14-4-6-25(7-5-14)19-3-1-2-18(23-19)21(27)24-20-16-8-15-9-17(20)12-22(28,10-15)11-16/h1-3,14-17,20,26,28H,4-13H2,(H,24,27)/t15?,16?,17?,20-,22-
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| InChIKey |
AQQIMFSACPJVQY-ZZHKZCCTSA-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