General Information of the Compound
| Compound ID |
CP0106288
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| Compound Name |
7-[2-[2-[4-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]phenyl]phenyl]ethylamino]ethyl]-4-hydroxy-3H-1,3-benzothiazol-2-one
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| Structure |
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| Formula |
C32H34N4O2S
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| Molecular Weight |
538.717
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| Canonical SMILES |
CCN(Cc1ccncc1)Cc1cccc(c1)-c1ccc(CCNCCc2ccc(O)c3[nH]c(=O)sc23)cc1
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| InChI |
InChI=1S/C32H34N4O2S/c1-2-36(21-24-13-17-33-18-14-24)22-25-4-3-5-28(20-25)26-8-6-23(7-9-26)12-16-34-19-15-27-10-11-29(37)30-31(27)39-32(38)35-30/h3-11,13-14,17-18,20,34,37H,2,12,15-16,19,21-22H2,1H3,(H,35,38)
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| InChIKey |
LVCVCTIAAMQWIR-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