General Information of the Compound
| Compound ID |
CP0444059
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| Compound Name |
CHEMBL2414683
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| Formula |
C22H25N3O4
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| Molecular Weight |
395.459
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| Canonical SMILES |
Nc1nccc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
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| InChI |
InChI=1S/C22H25N3O4/c23-21-20-18(9-10-24-21)29-12-11-25(22(20)28)17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-19(26)27/h5-10,14-15H,1-4,11-13H2,(H2,23,24)(H,26,27)/t14-,15-
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| InChIKey |
UVRQFGJPJNQVEI-SHTZXODSSA-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