General Information of the Compound
| Compound ID |
CP0169155
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| Compound Name |
CHEMBL1834554
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| Formula |
C20H23N3O4
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| Molecular Weight |
369.421
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| Canonical SMILES |
Nc1ncnc2OC[C@@H](Oc12)c1ccc(cc1)[C@H]1CC[C@H](CC(O)=O)CC1
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| InChI |
InChI=1S/C20H23N3O4/c21-19-18-20(23-11-22-19)26-10-16(27-18)15-7-5-14(6-8-15)13-3-1-12(2-4-13)9-17(24)25/h5-8,11-13,16H,1-4,9-10H2,(H,24,25)(H2,21,22,23)/t12-,13-,16-/m1/s1
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| InChIKey |
AOVBNRRYULZZSN-XJKCOSOUSA-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