General Information of the Compound
| Compound ID |
CP0960821
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(2S)-3,3,3-trifluoro-2-hydroxy-propyl]urea
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| Formula |
C23H21F6N3O2
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| Molecular Weight |
485.428
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| Canonical SMILES |
O=C(NC[C@H](O)C(F)(F)F)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C23H21F6N3O2/c24-14-3-1-12(2-4-14)20-19(16-7-15(25)8-17(26)21(16)32-20)13-5-11(6-13)9-30-22(34)31-10-18(33)23(27,28)29/h1-4,7-8,11,13,18,32-33H,5-6,9-10H2,(H2,30,31,34)/t11-,13-,18-/m0/s1
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| InChIKey |
WWABVGLZRBMACQ-FNFWKMNBSA-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