General Information of the Compound
| Compound ID |
CP0556422
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| Compound Name |
US8637501, 32
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| Structure |
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| Formula |
C25H25N3OS
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| Molecular Weight |
415.562
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| Canonical SMILES |
CSc1ccc(cc1)-c1ccn(-c2ccc3c4CNCCCc4n(C)c3c2)c(=O)c1
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| InChI |
InChI=1S/C25H25N3OS/c1-27-23-4-3-12-26-16-22(23)21-10-7-19(15-24(21)27)28-13-11-18(14-25(28)29)17-5-8-20(30-2)9-6-17/h5-11,13-15,26H,3-4,12,16H2,1-2H3
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| InChIKey |
CBBVFFZERUKLMK-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