General Information of the Compound
| Compound ID |
CP0446526
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| Compound Name |
1-((2R,3S)-4-((3-(4-fluorophenyl)propyl)(methyl)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 |
C23H30FN7O2
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| Molecular Weight |
455.538
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| Canonical SMILES |
C[C@@H](NC(=O)Nc1cccc(c1)-c1nnnn1C)[C@@H](O)CN(C)CCCc1ccc(F)cc1
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| InChI |
InChI=1S/C23H30FN7O2/c1-16(21(32)15-30(2)13-5-6-17-9-11-19(24)12-10-17)25-23(33)26-20-8-4-7-18(14-20)22-27-28-29-31(22)3/h4,7-12,14,16,21,32H,5-6,13,15H2,1-3H3,(H2,25,26,33)/t16-,21+/m1/s1
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| InChIKey |
CKJOKWIJVHXLCN-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