General Information of the Compound
| Compound ID |
CP0147213
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| Compound Name |
CHEMBL2178933
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
Cc1nc(C)c(nc1C(N)=O)-c1ccc(cc1)[C@H]1CC[C@H](CCO)CC1
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| InChI |
InChI=1S/C21H27N3O2/c1-13-19(24-20(21(22)26)14(2)23-13)18-9-7-17(8-10-18)16-5-3-15(4-6-16)11-12-25/h7-10,15-16,25H,3-6,11-12H2,1-2H3,(H2,22,26)/t15-,16-
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| InChIKey |
BUVUEKVZSMDFQG-WKILWMFISA-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