General Information of the Compound
| Compound ID |
CP0102401
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| Compound Name |
3-(3-Chloro-4-fluoro-phenyl)-1-[(1R,3R,6S)-6-(3-cyano-phenyl)-bicyclo[4.1.0]hept-3-yl]-1-[2-((R)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea
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| Structure |
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| Formula |
C27H30ClFN4O2
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| Molecular Weight |
497.014
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| Canonical SMILES |
O[C@@H]1CCN(CCN([C@@H]2CC[C@@]3(C[C@@H]3C2)c2cccc(c2)C#N)C(=O)Nc2ccc(F)c(Cl)c2)C1
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| InChI |
InChI=1S/C27H30ClFN4O2/c28-24-14-21(4-5-25(24)29)31-26(35)33(11-10-32-9-7-23(34)17-32)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-30/h1-5,12,14,20,22-23,34H,6-11,13,15,17H2,(H,31,35)/t20-,22+,23+,27+/m0/s1
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| InChIKey |
KJGRXEJUJKUECU-PGTSUSQTSA-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