General Information of the Compound
| Compound ID |
CP0397581
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| Compound Name |
CHEMBL2178932
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| Formula |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
Cc1nc(-c2ccccc2)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C26H27N3O3/c1-16-23(26(27)32)29-25(24(28-16)20-5-3-2-4-6-20)21-13-11-19(12-14-21)18-9-7-17(8-10-18)15-22(30)31/h2-6,11-14,17-18H,7-10,15H2,1H3,(H2,27,32)(H,30,31)/t17-,18-
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| InChIKey |
UVHSIRWCEMWELE-IYARVYRRSA-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