General Information of the Compound
| Compound ID |
CP0371501
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| Compound Name |
US8618286, 29
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| Structure |
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| Formula |
C18H22N4S2
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| Molecular Weight |
358.536
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| Canonical SMILES |
NC(=Nc1ccc2SCCN(C3CCNCC3)c2c1)c1cccs1
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| InChI |
InChI=1S/C18H22N4S2/c19-18(17-2-1-10-23-17)21-13-3-4-16-15(12-13)22(9-11-24-16)14-5-7-20-8-6-14/h1-4,10,12,14,20H,5-9,11H2,(H2,19,21)
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| InChIKey |
NPKJSMOIXGJKNA-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