General Information of the Compound
| Compound ID |
CP0263954
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| Compound Name |
1-[(2R,4R)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-4-hydroxybutan-2-yl]-3-[3-methyl-5-(1-methyltetrazol-5-yl)phenyl]urea
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| Structure |
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| Formula |
C26H34FN7O2
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| Molecular Weight |
495.603
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| Canonical SMILES |
C[C@H](C[C@@H](O)N1CCC[C@@H](Cc2ccc(F)cc2)C1)NC(=O)Nc1cc(C)cc(c1)-c1nnnn1C
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| InChI |
InChI=1S/C26H34FN7O2/c1-17-11-21(25-30-31-32-33(25)3)15-23(12-17)29-26(36)28-18(2)13-24(35)34-10-4-5-20(16-34)14-19-6-8-22(27)9-7-19/h6-9,11-12,15,18,20,24,35H,4-5,10,13-14,16H2,1-3H3,(H2,28,29,36)/t18-,20+,24-/m1/s1
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| InChIKey |
ITFWHVWTUPHVKE-LJFZDNNRSA-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