General Information of the Compound
| Compound ID |
CP0408571
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[(1S,2R,5S)-5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-1-(2-pyrrolidin-1-ylethyl)urea
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| Structure |
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| Formula |
C26H28ClFN4O
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| Molecular Weight |
466.988
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| Canonical SMILES |
Fc1ccc(NC(=O)N(CCN2CCCC2)[C@@H]2CC[C@@]3(C[C@H]23)c2cccc(c2)C#N)cc1Cl
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| InChI |
InChI=1S/C26H28ClFN4O/c27-22-15-20(6-7-23(22)28)30-25(33)32(13-12-31-10-1-2-11-31)24-8-9-26(16-21(24)26)19-5-3-4-18(14-19)17-29/h3-7,14-15,21,24H,1-2,8-13,16H2,(H,30,33)/t21-,24-,26-/m1/s1
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| InChIKey |
WEANTTRJQXQJOS-YMVVMYQSSA-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