General Information of the Compound
| Compound ID |
CP0444033
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| Compound Name |
CHEMBL2414680
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| Formula |
C22H25N3O5
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| Molecular Weight |
411.458
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| Canonical SMILES |
COc1ncnc2OCCN(c3ccc(cc3)[C@H]3CC[C@H](CC(O)=O)CC3)C(=O)c12
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| InChI |
InChI=1S/C22H25N3O5/c1-29-20-19-21(24-13-23-20)30-11-10-25(22(19)28)17-8-6-16(7-9-17)15-4-2-14(3-5-15)12-18(26)27/h6-9,13-15H,2-5,10-12H2,1H3,(H,26,27)/t14-,15-
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| InChIKey |
DAWZGWAUTPPASC-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