General Information of the Compound
| Compound ID |
CP0564701
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| Compound Name |
US8912224, 144
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| Structure |
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| Formula |
C26H26N4O2S2
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| Molecular Weight |
490.654
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| Canonical SMILES |
C(NCc1cnc(Oc2ccc3OC(CCc3c2)c2ccccc2)s1)C1=CSC2=NCCCN12
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| InChI |
InChI=1S/C26H26N4O2S2/c1-2-5-18(6-3-1)23-9-7-19-13-21(8-10-24(19)32-23)31-26-29-16-22(34-26)15-27-14-20-17-33-25-28-11-4-12-30(20)25/h1-3,5-6,8,10,13,16-17,23,27H,4,7,9,11-12,14-15H2
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| InChIKey |
LJUTWRCYDSFPNK-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