General Information of the Compound
| Compound ID |
CP0503350
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(4-(pyridin-3-yl)cyclohex-3-enyl)-1-(2-(pyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C24H28ClFN4O
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| Molecular Weight |
442.966
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCN2CCCC2)C2CCC(=CC2)c2cccnc2)cc1Cl
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| InChI |
InChI=1S/C24H28ClFN4O/c25-22-16-20(7-10-23(22)26)28-24(31)30(15-14-29-12-1-2-13-29)21-8-5-18(6-9-21)19-4-3-11-27-17-19/h3-5,7,10-11,16-17,21H,1-2,6,8-9,12-15H2,(H,28,31)
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| InChIKey |
XRKKPQCDVNMDGA-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