General Information of the Compound
| Compound ID |
CP0967431
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| Compound Name |
trans-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-N-[(1S)-2-methoxy-1-methyl-ethyl]carbamate
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| Formula |
C23H23F3N2O3
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| Molecular Weight |
432.442
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| Canonical SMILES |
COC[C@H](C)NC(=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/C23H23F3N2O3/c1-12(11-30-2)27-23(29)31-17-7-14(8-17)20-18-9-16(25)10-19(26)22(18)28-21(20)13-3-5-15(24)6-4-13/h3-6,9-10,12,14,17,28H,7-8,11H2,1-2H3,(H,27,29)/t12-,14-,17-/m0/s1
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| InChIKey |
ZOMGBFDQYVJIIB-JDFRZJQESA-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