General Information of the Compound
| Compound ID |
CP0490124
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| Compound Name |
US9266876, 131
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| Structure |
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| Formula |
C25H24N6O2S
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| Molecular Weight |
472.574
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cc1noc2ccc(C)cc12)c1scnc1-c1nc2ccccc2[nH]1
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| InChI |
InChI=1S/C25H24N6O2S/c1-15-7-8-21-17(11-15)20(29-33-21)12-22(32)31-10-9-30(13-16(31)2)25-23(26-14-34-25)24-27-18-5-3-4-6-19(18)28-24/h3-8,11,14,16H,9-10,12-13H2,1-2H3,(H,27,28)/t16-/m1/s1
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| InChIKey |
WAYVNLPGSFZPDC-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