General Information of the Compound
| Compound ID |
CP0532311
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| Compound Name |
1-(1-(cyclooctenylmethyl)piperidin-4-yl)-3-(5-phenylthiophen-2-yl)urea
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| Structure |
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| Formula |
C25H33N3OS
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| Molecular Weight |
423.626
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| Canonical SMILES |
O=C(NC1CCN(C\C2=C\CCCCCC2)CC1)Nc1ccc(s1)-c1ccccc1
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| InChI |
InChI=1S/C25H33N3OS/c29-25(27-24-14-13-23(30-24)21-11-7-4-8-12-21)26-22-15-17-28(18-16-22)19-20-9-5-2-1-3-6-10-20/h4,7-9,11-14,22H,1-3,5-6,10,15-19H2,(H2,26,27,29)/b20-9+
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| InChIKey |
XYILJCFIFJAYMS-AWQFTUOYSA-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