General Information of the Compound
| Compound ID |
CP0379066
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| Compound Name |
1-((3R,6S)-6-(3-cyanophenyl)bicyclo[4.1.0]heptan-3-yl)-3-(2-fluorophenyl)-1-(2-((R)-3-hydroxypyrrolidin-1-yl)ethyl)urea
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| Structure |
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| Formula |
C27H31FN4O2
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| Molecular Weight |
462.569
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| Canonical SMILES |
O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(CC3C2)c2cccc(c2)C#N)C(=O)Nc2ccccc2F)C1
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| InChI |
InChI=1S/C27H31FN4O2/c28-24-6-1-2-7-25(24)30-26(34)32(13-12-31-11-9-23(33)18-31)22-8-10-27(16-21(27)15-22)20-5-3-4-19(14-20)17-29/h1-7,14,21-23,33H,8-13,15-16,18H2,(H,30,34)/t21?,22-,23-,27-/m1/s1
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| InChIKey |
WNGJPPISYOJSKE-RTNCKUFBSA-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