General Information of the Compound
| Compound ID |
CP0112623
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| Compound Name |
CHEMBL3787567
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| Formula |
C24H28N4O3
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| Molecular Weight |
420.513
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| Canonical SMILES |
Nc1ncnc2n(cc(-c3cccc(OCC45CCC(CC4)O5)c3)c12)[C@@H]1C[C@H](CO)C1
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| InChI |
InChI=1S/C24H28N4O3/c25-22-21-20(11-28(23(21)27-14-26-22)17-8-15(9-17)12-29)16-2-1-3-19(10-16)30-13-24-6-4-18(31-24)5-7-24/h1-3,10-11,14-15,17-18,29H,4-9,12-13H2,(H2,25,26,27)/t15-,17+,18?,24?
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| InChIKey |
GGTFGDYZXJIORI-VGWTUOLASA-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