General Information of the Compound
| Compound ID |
CP0556762
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| Compound Name |
3-(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 |
C29H32N4O2S
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| Molecular Weight |
500.668
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| Canonical SMILES |
O=C(Nc1nc2ccccc2s1)N(CCC(c1ccccc1)c1ccccc1)CCN1CCOCC1
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| InChI |
InChI=1S/C29H32N4O2S/c34-29(31-28-30-26-13-7-8-14-27(26)36-28)33(18-17-32-19-21-35-22-20-32)16-15-25(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-14,25H,15-22H2,(H,30,31,34)
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| InChIKey |
GCEKXNZJEPZBBC-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