General Information of the Compound
| Compound ID |
CP0492580
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| Compound Name |
3-chloro-5-fluoro-N-[3-[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl]-1-bicyclo[1.1.1]pentanyl]benzamide
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| Structure |
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| Formula |
C21H19ClF2N2O2
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| Molecular Weight |
404.844
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| Canonical SMILES |
C[C@H](C(=O)Nc1ccc(F)cc1)C12CC(C1)(C2)NC(=O)c1cc(F)cc(Cl)c1
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| InChI |
InChI=1S/C21H19ClF2N2O2/c1-12(18(27)25-17-4-2-15(23)3-5-17)20-9-21(10-20,11-20)26-19(28)13-6-14(22)8-16(24)7-13/h2-8,12H,9-11H2,1H3,(H,25,27)(H,26,28)/t12-,20?,21?/m1/s1
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| InChIKey |
WBZSBFRSSQMSOS-BQXHSLBWSA-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