General Information of the Compound
| Compound ID |
CP0396177
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| Compound Name |
CHEMBL4208701
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| Formula |
C26H36N8O
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| Molecular Weight |
476.629
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C26H36N8O/c27-18-5-7-20(8-6-18)30-26-31-24(23-25(32-26)34(17-28-23)22-3-1-2-4-22)29-19-9-11-21(12-10-19)33-13-15-35-16-14-33/h9-12,17-18,20,22H,1-8,13-16,27H2,(H2,29,30,31,32)/t18-,20-
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| InChIKey |
RBJJYZNTQRAUAB-KESTWPANSA-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