General Information of the Compound
| Compound ID |
CP0376432
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| Compound Name |
6-(3-cyano-phenyl)-bicyclo[4.1.0]hept-3-yl]-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-[2-((S)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea
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| Structure |
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| Formula |
C28H30F4N4O2
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| Molecular Weight |
530.566
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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(c2)C(F)(F)F)C1
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| InChI |
InChI=1S/C28H30F4N4O2/c29-25-5-4-21(14-24(25)28(30,31)32)34-26(38)36(11-10-35-9-7-23(37)17-35)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-33/h1-5,12,14,20,22-23,37H,6-11,13,15,17H2,(H,34,38)/t20-,22+,23-,27+/m0/s1
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| InChIKey |
IDIPINAYGICHHM-ONLLFZDPSA-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