General Information of the Compound
| Compound ID |
CP0374856
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| Compound Name |
(+/-)-trans-4-((3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentylamino)methyl)-1H-imidazol-2(3H)-one
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| Structure |
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| Formula |
C24H23F6N3O2
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| Molecular Weight |
499.455
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| Canonical SMILES |
FC(F)(F)c1cc(CO[C@H]2CC[C@@H](NCc3c[nH]c(=O)[nH]3)[C@@H]2c2ccccc2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H23F6N3O2/c25-23(26,27)16-8-14(9-17(10-16)24(28,29)30)13-35-20-7-6-19(21(20)15-4-2-1-3-5-15)31-11-18-12-32-22(34)33-18/h1-5,8-10,12,19-21,31H,6-7,11,13H2,(H2,32,33,34)/t19-,20+,21+/m1/s1
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| InChIKey |
KTYSLTJQOIHOCO-HKBOAZHASA-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