General Information of the Compound
| Compound ID |
CP0967435
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]methyl]urea
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| Formula |
C26H28F3N3O3
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| Molecular Weight |
487.522
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| Canonical SMILES |
O=C(NC[C@H]1CC[C@@H](CO)O1)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C26H28F3N3O3/c27-17-3-1-15(2-4-17)24-23(21-9-18(28)10-22(29)25(21)32-24)16-7-14(8-16)11-30-26(34)31-12-19-5-6-20(13-33)35-19/h1-4,9-10,14,16,19-20,32-33H,5-8,11-13H2,(H2,30,31,34)/t14-,16-,19-,20+/m1/s1
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| InChIKey |
UPMNXIDAUBWCCR-FCNFAXOHSA-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