General Information of the Compound
| Compound ID |
CP0307480
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| Compound Name |
CHEMBL2376095
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| Formula |
C21H25N5O4
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| Molecular Weight |
411.462
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| Canonical SMILES |
COc1ccc(cn1)-c1cc2c(C)nc(N)nc2n([C@@H]2CC[C@@H](CC2)OCO)c1=O
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| InChI |
InChI=1S/C21H25N5O4/c1-12-16-9-17(13-3-8-18(29-2)23-10-13)20(28)26(19(16)25-21(22)24-12)14-4-6-15(7-5-14)30-11-27/h3,8-10,14-15,27H,4-7,11H2,1-2H3,(H2,22,24,25)/t14-,15+
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| InChIKey |
XYDOOSSZZGUDEI-GASCZTMLSA-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