General Information of the Compound
| Compound ID |
CP0478903
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| Compound Name |
CHEMBL2413095
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| Formula |
C25H31N5O4
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| Molecular Weight |
465.554
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| Canonical SMILES |
Nc1ncnc2OCCN(c3ccc(cc3)C3CCN(CC3)C(=O)[C@@H]3CC[C@H](O)CC3)C(=O)c12
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| InChI |
InChI=1S/C25H31N5O4/c26-22-21-23(28-15-27-22)34-14-13-30(25(21)33)19-5-1-16(2-6-19)17-9-11-29(12-10-17)24(32)18-3-7-20(31)8-4-18/h1-2,5-6,15,17-18,20,31H,3-4,7-14H2,(H2,26,27,28)/t18-,20+
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| InChIKey |
QIAZOUYGUWMASC-PUZFROQSSA-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