General Information of the Compound
| Compound ID |
CP0529326
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| Compound Name |
US8618286, 21
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| Structure |
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| Formula |
C20H26N4S2
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| Molecular Weight |
386.59
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| Canonical SMILES |
NC(=Nc1ccc2N(CCCN3CCCC3)CCSc2c1)c1cccs1
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| InChI |
InChI=1S/C20H26N4S2/c21-20(18-5-3-13-25-18)22-16-6-7-17-19(15-16)26-14-12-24(17)11-4-10-23-8-1-2-9-23/h3,5-7,13,15H,1-2,4,8-12,14H2,(H2,21,22)
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| InChIKey |
BGBNFKIRYIGAMV-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