General Information of the Compound
| Compound ID |
CP0287007
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| Compound Name |
(1R,3S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-[(2,2-difluoroacetyl)amino]-N-methylcyclopentane-1-carboxamide
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| Structure |
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| Formula |
C22H21F2N3O3
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| Molecular Weight |
413.424
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| Canonical SMILES |
CN(C(=O)[C@@H]1CC[C@@H](C1)NC(=O)C(F)F)c1ccc(cc1)-c1nc2ccccc2o1
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| InChI |
InChI=1S/C22H21F2N3O3/c1-27(22(29)14-6-9-15(12-14)25-20(28)19(23)24)16-10-7-13(8-11-16)21-26-17-4-2-3-5-18(17)30-21/h2-5,7-8,10-11,14-15,19H,6,9,12H2,1H3,(H,25,28)/t14-,15+/m1/s1
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| InChIKey |
VAACVJPHWQLZDB-CABCVRRESA-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