General Information of the Compound
| Compound ID |
CP0170547
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| Compound Name |
US8680275, 180
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| Structure |
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| Formula |
C20H23N7O2S
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| Molecular Weight |
425.518
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| Canonical SMILES |
Cc1nnsc1-c1onc(C)c1C(=O)N1CC[C@H]2CN([C@H]2C1)c1nc(C)cc(C)n1
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| InChI |
InChI=1S/C20H23N7O2S/c1-10-7-11(2)22-20(21-10)27-8-14-5-6-26(9-15(14)27)19(28)16-12(3)24-29-17(16)18-13(4)23-25-30-18/h7,14-15H,5-6,8-9H2,1-4H3/t14-,15-/m0/s1
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| InChIKey |
OBZDRYNAXVTAJE-GJZGRUSLSA-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