General Information of the Compound
| Compound ID |
CP0532070
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| Compound Name |
CHEMBL4578470
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| Formula |
C25H30N8S
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| Molecular Weight |
474.638
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| Canonical SMILES |
N[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ccc(nc2)-c2cccs2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C25H30N8S/c26-16-7-9-17(10-8-16)30-25-31-23(22-24(32-25)33(15-28-22)19-4-1-2-5-19)29-18-11-12-20(27-14-18)21-6-3-13-34-21/h3,6,11-17,19H,1-2,4-5,7-10,26H2,(H2,29,30,31,32)/t16-,17-
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| InChIKey |
LMJRKXMSFXXSRL-QAQDUYKDSA-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