General Information of the Compound
| Compound ID |
CP0542452
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| Compound Name |
CHEMBL4514237
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| Formula |
C27H32N8O
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| Molecular Weight |
484.608
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)-c2ccccc2O)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C27H32N8O/c28-17-9-11-18(12-10-17)32-27-33-25(24-26(34-27)35(16-30-24)20-5-1-2-6-20)31-19-13-14-22(29-15-19)21-7-3-4-8-23(21)36/h3-4,7-8,13-18,20,36H,1-2,5-6,9-12,28H2,(H2,31,32,33,34)/t17-,18-
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| InChIKey |
VSMMUEWROAQZNS-IYARVYRRSA-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