General Information of the Compound
| Compound ID |
CP0510752
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| Compound Name |
1-((2R,3S)-4-((3-(4-fluorophenyl)propyl)(propyl)amino)-3-hydroxybutan-2-yl)-3-(3-(1-methyl-1H-tetrazol-5-yl)phenyl)urea
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| Structure |
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| Formula |
C25H34FN7O2
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| Molecular Weight |
483.592
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| Canonical SMILES |
CCCN(CCCc1ccc(F)cc1)C[C@H](O)[C@@H](C)NC(=O)Nc1cccc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C25H34FN7O2/c1-4-14-33(15-6-7-19-10-12-21(26)13-11-19)17-23(34)18(2)27-25(35)28-22-9-5-8-20(16-22)24-29-30-31-32(24)3/h5,8-13,16,18,23,34H,4,6-7,14-15,17H2,1-3H3,(H2,27,28,35)/t18-,23+/m1/s1
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| InChIKey |
CLDHNRFYDLODMW-JPYJTQIMSA-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