General Information of the Compound
| Compound ID |
CP0501988
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| Compound Name |
1-[3-(3-cyanophenyl)cyclopent-2-en-1-yl]-3-(3,5-dichlorophenyl)-1-(2-pyrrolidin-1-ylethyl)urea
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| Structure |
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| Formula |
C25H26Cl2N4O
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| Molecular Weight |
469.416
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| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)N(CCN2CCCC2)C2CCC(=C2)c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C25H26Cl2N4O/c26-21-14-22(27)16-23(15-21)29-25(32)31(11-10-30-8-1-2-9-30)24-7-6-20(13-24)19-5-3-4-18(12-19)17-28/h3-5,12-16,24H,1-2,6-11H2,(H,29,32)
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| InChIKey |
VTYHUUVATIQVFT-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