General Information of the Compound
| Compound ID |
CP0526124
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| Compound Name |
US9266876, 86
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| Structure |
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| Formula |
C27H30N8OS
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| Molecular Weight |
514.659
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(ccc2[nH]1)C(C)(C)C
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| InChI |
InChI=1S/C27H30N8OS/c1-17-13-33(10-11-35(17)22(36)14-34-15-29-20-6-5-9-28-25(20)34)26-23(30-16-37-26)24-31-19-8-7-18(27(2,3)4)12-21(19)32-24/h5-9,12,15-17H,10-11,13-14H2,1-4H3,(H,31,32)/t17-/m1/s1
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| InChIKey |
MTVAHZZIVWOUEP-QGZVFWFLSA-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