General Information of the Compound
| Compound ID |
CP0969241
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(1R)-2,2,2-trifluoro-1-(hydroxymethyl)ethyl]carbamate
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| Formula |
C22H18F6N2O3
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| Molecular Weight |
472.385
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| Canonical SMILES |
O=C(N[C@H](CO)C(F)(F)F)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C22H18F6N2O3/c23-12-3-1-10(2-4-12)19-18(15-7-13(24)8-16(25)20(15)30-19)11-5-14(6-11)33-21(32)29-17(9-31)22(26,27)28/h1-4,7-8,11,14,17,30-31H,5-6,9H2,(H,29,32)/t11-,14-,17-/m1/s1
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| InChIKey |
PQDFWGHFSCOIBZ-JDSLSITLSA-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