General Information of the Compound
| Compound ID |
CP0960816
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(5-methyl-2-furyl)methyl]carbamate
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| Formula |
C25H21F3N2O3
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| Molecular Weight |
454.448
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| Canonical SMILES |
Cc1ccc(CNC(=O)O[C@H]2C[C@H](c3c(-c4ccc(F)cc4)[nH]c4c(F)cc(F)cc43)C2)o1
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| InChI |
InChI=1S/C25H21F3N2O3/c1-13-2-7-18(32-13)12-29-25(31)33-19-8-15(9-19)22-20-10-17(27)11-21(28)24(20)30-23(22)14-3-5-16(26)6-4-14/h2-7,10-11,15,19,30H,8-9,12H2,1H3,(H,29,31)/t15-,19-
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| InChIKey |
VBQBZWKCDOETTH-RHDGDCLCSA-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