General Information of the Compound
| Compound ID |
CP0456435
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| Compound Name |
(+/-)-trans-methyl-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylcyclopentyl(methyl)carbamate
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| Structure |
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| Formula |
C23H23F6NO3
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| Molecular Weight |
475.429
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| Canonical SMILES |
COC(=O)N(C)[C@@H]1CC[C@H](OCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@H]1c1ccccc1
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| InChI |
InChI=1S/C23H23F6NO3/c1-30(21(31)32-2)18-8-9-19(20(18)15-6-4-3-5-7-15)33-13-14-10-16(22(24,25)26)12-17(11-14)23(27,28)29/h3-7,10-12,18-20H,8-9,13H2,1-2H3/t18-,19+,20+/m1/s1
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| InChIKey |
XLQRBGCAMPLWHK-AABGKKOBSA-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