General Information of the Compound
| Compound ID |
CP0375144
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| Compound Name |
1-(3,3-diphenylpropyl)-3-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-(2-morpholin-4-ylethyl)urea
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| Structure |
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| Formula |
C30H34N4O4S2
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| Molecular Weight |
578.76
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| Canonical SMILES |
CS(=O)(=O)c1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
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| InChI |
InChI=1S/C30H34N4O4S2/c1-40(36,37)25-12-13-27-28(22-25)39-29(31-27)32-30(35)34(17-16-33-18-20-38-21-19-33)15-14-26(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-13,22,26H,14-21H2,1H3,(H,31,32,35)
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| InChIKey |
FBYLWVFZBOAEKD-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