General Information of the Compound
| Compound ID |
CP0538036
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| Compound Name |
1-(3,3-diphenylpropyl)-3-[6-(hydroxymethyl)-1,3-benzothiazol-2-yl]-1-(2-morpholin-4-ylethyl)urea
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| Structure |
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| Formula |
C30H34N4O3S
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| Molecular Weight |
530.694
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| Canonical SMILES |
OCc1ccc2nc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)sc2c1
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| InChI |
InChI=1S/C30H34N4O3S/c35-22-23-11-12-27-28(21-23)38-29(31-27)32-30(36)34(16-15-33-17-19-37-20-18-33)14-13-26(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-12,21,26,35H,13-20,22H2,(H,31,32,36)
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| InChIKey |
JNYDHUIRDZZOOJ-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