General Information of the Compound
| Compound ID |
CP0565484
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| Compound Name |
US9266876, 25
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| Structure |
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| Formula |
C25H25N7O3S2
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| Molecular Weight |
535.655
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2cc(ccc2[nH]1)S(C)(=O)=O
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| InChI |
InChI=1S/C25H25N7O3S2/c1-16-13-31(10-11-32(16)21(33)14-30-9-7-17-4-3-8-26-24(17)30)25-22(27-15-36-25)23-28-19-6-5-18(37(2,34)35)12-20(19)29-23/h3-9,12,15-16H,10-11,13-14H2,1-2H3,(H,28,29)/t16-/m1/s1
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| InChIKey |
DZRDPTHXMBOABV-MRXNPFEDSA-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