General Information of the Compound
| Compound ID |
CP0466704
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| Compound Name |
US9193736, 6
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| Structure |
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| Formula |
C29H30N8OS
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| Molecular Weight |
538.681
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| Canonical SMILES |
C(Sc1ccc2ccccc2n1)c1nc2c(ccnn2c1-c1ccc(nc1)N1CCNCC1)N1CCOCC1
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| InChI |
InChI=1S/C29H30N8OS/c1-2-4-23-21(3-1)6-8-27(33-23)39-20-24-28(22-5-7-26(31-19-22)36-13-11-30-12-14-36)37-29(34-24)25(9-10-32-37)35-15-17-38-18-16-35/h1-10,19,30H,11-18,20H2
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| InChIKey |
IETOARBBCSQTOH-UHFFFAOYSA-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