General Information of the Compound
| Compound ID |
CP0960811
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| Compound Name |
trans-1-[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]-3-(2-oxopyrrolidin-3-yl)urea
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| Formula |
C23H21F3N4O2
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| Molecular Weight |
442.441
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| Canonical SMILES |
O=C(NC1CCNC1=O)N[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C23H21F3N4O2/c24-13-3-1-11(2-4-13)20-19(16-9-14(25)10-17(26)21(16)30-20)12-7-15(8-12)28-23(32)29-18-5-6-27-22(18)31/h1-4,9-10,12,15,18,30H,5-8H2,(H,27,31)(H2,28,29,32)/t12-,15-,18?
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| InChIKey |
WGTCVRIRCNSVTG-KNJMIPCJSA-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