General Information of the Compound
| Compound ID |
CP0537475
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| Compound Name |
US9266876, 24
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| Structure |
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| Formula |
C28H31N7OS
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| Molecular Weight |
513.671
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2ccc(cc2[nH]1)C(C)(C)C
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| InChI |
InChI=1S/C28H31N7OS/c1-18-15-34(12-13-35(18)23(36)16-33-11-9-19-6-5-10-29-26(19)33)27-24(30-17-37-27)25-31-21-8-7-20(28(2,3)4)14-22(21)32-25/h5-11,14,17-18H,12-13,15-16H2,1-4H3,(H,31,32)/t18-/m1/s1
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| InChIKey |
QJQBZNUWXZTKCS-GOSISDBHSA-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