General Information of the Compound
| Compound ID |
CP0562884
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| Compound Name |
1-(3,3-diphenylpropyl)-3-(4-methoxy-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 |
COc1cccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)nc12
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| InChI |
InChI=1S/C30H34N4O3S/c1-36-26-13-8-14-27-28(26)31-29(38-27)32-30(35)34(18-17-33-19-21-37-22-20-33)16-15-25(23-9-4-2-5-10-23)24-11-6-3-7-12-24/h2-14,25H,15-22H2,1H3,(H,31,32,35)
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| InChIKey |
CIIJGMNXBMHIFX-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