General Information of the Compound
| Compound ID |
CP0969793
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-(3-methoxycyclobutyl)carbamate
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| Formula |
C24H23F3N2O3
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| Molecular Weight |
444.453
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| Canonical SMILES |
CO[C@H]1C[C@@H](NC(=O)O[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)C1
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| InChI |
InChI=1S/C24H23F3N2O3/c1-31-17-10-16(11-17)28-24(30)32-18-6-13(7-18)21-19-8-15(26)9-20(27)23(19)29-22(21)12-2-4-14(25)5-3-12/h2-5,8-9,13,16-18,29H,6-7,10-11H2,1H3,(H,28,30)/t13-,16-,17+,18-
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| InChIKey |
MRGGMRYROUWOBN-SZYRMMSWSA-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