General Information of the Compound
| Compound ID |
CP0436724
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| Compound Name |
CHEMBL2178931
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| Formula |
C23H29N3O3
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| Molecular Weight |
395.503
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| Canonical SMILES |
CC(C)c1nc(C)c(nc1-c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1)C(N)=O
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| InChI |
InChI=1S/C23H29N3O3/c1-13(2)20-22(26-21(23(24)29)14(3)25-20)18-10-8-17(9-11-18)16-6-4-15(5-7-16)12-19(27)28/h8-11,13,15-16H,4-7,12H2,1-3H3,(H2,24,29)(H,27,28)/t15-,16-
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| InChIKey |
LSJYIHZUMHUKEH-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