General Information of the Compound
| Compound ID |
CP0402514
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| Compound Name |
US9200001, 133
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| Structure |
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| Formula |
C24H28N8
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| Molecular Weight |
428.544
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| Canonical SMILES |
C[C@@H]1CCCN1c1nc(cc(n1)-n1nc(C)nc1C)[C@@H]1C[C@H]1c1nc2ccccc2n1C
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| InChI |
InChI=1S/C24H28N8/c1-14-8-7-11-31(14)24-27-20(13-22(28-24)32-16(3)25-15(2)29-32)17-12-18(17)23-26-19-9-5-6-10-21(19)30(23)4/h5-6,9-10,13-14,17-18H,7-8,11-12H2,1-4H3/t14-,17-,18-/m1/s1
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| InChIKey |
VSEPXHQMORYPHE-ZTFGCOKTSA-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