General Information of the Compound
| Compound ID |
CP0424939
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| Compound Name |
1-[3-Ethyl-5-(1-methyl-1H-tetrazol-5-yl)-phenyl]-3-{(3S,4R)-1-[2-(4-fluoro-phenyl)-ethyl]-4-isopropyl-piperidin-3-ylmethyl}-urea
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| Structure |
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| Formula |
C28H38FN7O
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| Molecular Weight |
507.658
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| Canonical SMILES |
CCc1cc(NC(=O)NC[C@H]2CN(CCc3ccc(F)cc3)CC[C@@H]2C(C)C)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C28H38FN7O/c1-5-20-14-22(27-32-33-34-35(27)4)16-25(15-20)31-28(37)30-17-23-18-36(13-11-26(23)19(2)3)12-10-21-6-8-24(29)9-7-21/h6-9,14-16,19,23,26H,5,10-13,17-18H2,1-4H3,(H2,30,31,37)/t23-,26+/m0/s1
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| InChIKey |
XDVVNMPNYGTIOU-JYFHCDHNSA-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