General Information of the Compound
| Compound ID |
CP0968736
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(2-methoxycyclopropyl)carbamate
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| Formula |
C23H21F3N2O3
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| Molecular Weight |
430.426
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| Canonical SMILES |
COC1CC1NC(=O)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/c1-30-19-10-18(19)27-23(29)31-15-6-12(7-15)20-16-8-14(25)9-17(26)22(16)28-21(20)11-2-4-13(24)5-3-11/h2-5,8-9,12,15,18-19,28H,6-7,10H2,1H3,(H,27,29)/t12-,15-,18?,19?
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| InChIKey |
PBMKJTMTELIUDB-GTYRKNOWSA-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