General Information of the Compound
| Compound ID |
CP0421877
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| Compound Name |
1-((2R,3S)-4-((3-(4-fluorophenyl)propyl)(2,2,2-trifluoroethyl)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 |
C24H29F4N7O2
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| Molecular Weight |
523.535
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| Canonical SMILES |
C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(CCCc1ccc(F)cc1)CC(F)(F)F
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| InChI |
InChI=1S/C24H29F4N7O2/c1-16(29-23(37)30-20-7-3-6-18(13-20)22-31-32-33-34(22)2)21(36)14-35(15-24(26,27)28)12-4-5-17-8-10-19(25)11-9-17/h3,6-11,13,16,21,36H,4-5,12,14-15H2,1-2H3,(H2,29,30,37)/t16-,21+/m1/s1
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| InChIKey |
UDHGEHYYTGTWBP-IERDGZPVSA-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