General Information of the Compound
| Compound ID |
CP0953149
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| Compound Name |
trans-1-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methyl]-3-[(1S,3S)-3-hydroxycyclopentyl]urea
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| Formula |
C25H26F3N3O2
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| Molecular Weight |
457.496
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| Canonical SMILES |
O=C(NC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)N[C@H]1CC[C@H](O)C1
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| InChI |
InChI=1S/C25H26F3N3O2/c26-16-3-1-14(2-4-16)23-22(20-9-17(27)10-21(28)24(20)31-23)15-7-13(8-15)12-29-25(33)30-18-5-6-19(32)11-18/h1-4,9-10,13,15,18-19,31-32H,5-8,11-12H2,(H2,29,30,33)/t13-,15-,18-,19-/m0/s1
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| InChIKey |
VJEFBZADMLUOSR-BMIPRAEKSA-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