General Information of the Compound
| Compound ID |
CP0378310
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| Compound Name |
1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(3S,4S)-1-[2-(4-fluoro-phenyl)-ethyl]-4-methyl-piperidin-3-ylmethyl}-urea
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| Structure |
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| Formula |
C26H34FN7O
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| Molecular Weight |
479.604
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| Canonical SMILES |
CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CC[C@@H]2C)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H34FN7O/c1-4-19-13-21(25-30-31-32-33(25)3)15-24(14-19)29-26(35)28-16-22-17-34(11-9-18(22)2)12-10-20-5-7-23(27)8-6-20/h5-8,13-15,18,22H,4,9-12,16-17H2,1-3H3,(H2,28,29,35)/t18-,22-/m0/s1
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| InChIKey |
WNUYDCDUHGVMLS-AVRDEDQJSA-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