General Information of the Compound
| Compound ID |
CP0968619
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(3S)-tetrahydrofuran-3-yl]carbamate
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| Formula |
C23H21F3N2O3
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| Molecular Weight |
430.426
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| Canonical SMILES |
O=C(N[C@H]1CCOC1)O[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C23H21F3N2O3/c24-14-3-1-12(2-4-14)21-20(18-9-15(25)10-19(26)22(18)28-21)13-7-17(8-13)31-23(29)27-16-5-6-30-11-16/h1-4,9-10,13,16-17,28H,5-8,11H2,(H,27,29)/t13-,16-,17-/m0/s1
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| InChIKey |
QSJJAXCMGNSKOM-JQFCIGGWSA-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