General Information of the Compound
| Compound ID |
CP0525784
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| Compound Name |
propan-2-yl N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]carbamate
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| Structure |
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| Formula |
C18H23FN2O3
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| Molecular Weight |
334.391
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| Canonical SMILES |
CC(C)OC(=O)NC12CC(C1)(C2)[C@H](C)C(=O)Nc1ccc(F)cc1
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| InChI |
InChI=1S/C18H23FN2O3/c1-11(2)24-16(23)21-18-8-17(9-18,10-18)12(3)15(22)20-14-6-4-13(19)5-7-14/h4-7,11-12H,8-10H2,1-3H3,(H,20,22)(H,21,23)/t12-,17?,18?/m1/s1
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| InChIKey |
QLQSPXDAPAOFQV-RGZNSWCXSA-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