General Information of the Compound
| Compound ID |
CP0969765
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1R)-1-(hydroxymethyl)propyl]urea
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| Formula |
C24H26F3N3O2
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| Molecular Weight |
445.485
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| Canonical SMILES |
CC[C@H](CO)NC(=O)NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1
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| InChI |
InChI=1S/C24H26F3N3O2/c1-2-18(12-31)29-24(32)28-11-13-7-15(8-13)21-19-9-17(26)10-20(27)23(19)30-22(21)14-3-5-16(25)6-4-14/h3-6,9-10,13,15,18,30-31H,2,7-8,11-12H2,1H3,(H2,28,29,32)/t13-,15-,18-/m1/s1
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| InChIKey |
WFVNEBLJLQNYKT-DDUZABMNSA-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