General Information of the Compound
| Compound ID |
CP0522355
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| Compound Name |
1-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)-3-((2R,3S)-4-(3-(4-fluorophenyl)propylamino)-3-hydroxybutan-2-yl)urea
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| Structure |
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| Formula |
C24H32FN7O2
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| Molecular Weight |
469.565
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| Canonical SMILES |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CNCCCc2ccc(F)cc2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C24H32FN7O2/c1-4-17-12-19(23-29-30-31-32(23)3)14-21(13-17)28-24(34)27-16(2)22(33)15-26-11-5-6-18-7-9-20(25)10-8-18/h7-10,12-14,16,22,26,33H,4-6,11,15H2,1-3H3,(H2,27,28,34)/t16-,22+/m1/s1
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| InChIKey |
UUGSRAAISBMNHE-ZHRRBRCNSA-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