General Information of the Compound
| Compound ID |
CP0421875
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| Compound Name |
1-((2R,3S)-4-(cyclohexyl(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 |
C30H42FN7O2
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| Molecular Weight |
551.711
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| Canonical SMILES |
CCc1cc(NC(=O)N[C@H](C)[C@@H](O)CN(CCCc2ccc(F)cc2)C2CCCCC2)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C30H42FN7O2/c1-4-22-17-24(29-34-35-36-37(29)3)19-26(18-22)33-30(40)32-21(2)28(39)20-38(27-10-6-5-7-11-27)16-8-9-23-12-14-25(31)15-13-23/h12-15,17-19,21,27-28,39H,4-11,16,20H2,1-3H3,(H2,32,33,40)/t21-,28+/m1/s1
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| InChIKey |
QUQUATAXKUIJRN-PIKZIKFNSA-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