General Information of the Compound
| Compound ID |
CP0562885
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| Compound Name |
3-(4-chloro-1,3-benzothiazol-2-yl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea
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| Structure |
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| Formula |
C29H31ClN4O2S
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| Molecular Weight |
535.113
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| Canonical SMILES |
Clc1cccc2sc(NC(=O)N(CCC(c3ccccc3)c3ccccc3)CCN3CCOCC3)nc12
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| InChI |
InChI=1S/C29H31ClN4O2S/c30-25-12-7-13-26-27(25)31-28(37-26)32-29(35)34(17-16-33-18-20-36-21-19-33)15-14-24(22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-13,24H,14-21H2,(H,31,32,35)
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| InChIKey |
SBRNTRWUMVKRJA-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