General Information of the Compound
| Compound ID |
CP0113510
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| Compound Name |
CHEMBL2375969
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCO)c(=O)c(cc12)-c1cnc2ccccc2c1
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| InChI |
InChI=1S/C24H25N5O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)26-12-16)23(31)29(22(19)28-24(25)27-14)17-6-8-18(9-7-17)32-13-30/h2-5,10-12,17-18,30H,6-9,13H2,1H3,(H2,25,27,28)/t17-,18+
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| InChIKey |
SUGLTXJBYXYKFN-HDICACEKSA-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