General Information of the Compound
| Compound ID |
CP0464752
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| Compound Name |
1-((2R,3S)-4-(ethyl(3-(4-fluorophenyl)propyl)amino)-3-hydroxybutan-2-yl)-3-(3-ethyl-5-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C26H36FN7O2
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| Molecular Weight |
497.619
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| Canonical SMILES |
CCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cc(CC)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H36FN7O2/c1-5-19-14-21(25-30-31-32-33(25)4)16-23(15-19)29-26(36)28-18(3)24(35)17-34(6-2)13-7-8-20-9-11-22(27)12-10-20/h9-12,14-16,18,24,35H,5-8,13,17H2,1-4H3,(H2,28,29,36)/t18-,24+/m1/s1
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| InChIKey |
ZKBWRGSSTRYGHO-KOSHJBKYSA-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