General Information of the Compound
| Compound ID |
CP0423544
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| Compound Name |
4-chloranyl-N-[(2S)-1-[4-(5-fluoranyl-2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl]benzamide;2,2,2-tris(fluoranyl)ethanoic acid
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| Structure |
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| Formula |
C22H24ClFN4O2
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| Molecular Weight |
430.911
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| Canonical SMILES |
C[C@@H](CN1CCC(CC1)n1c2ccc(F)cc2[nH]c1=O)NC(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H24ClFN4O2/c1-14(25-21(29)15-2-4-16(23)5-3-15)13-27-10-8-18(9-11-27)28-20-7-6-17(24)12-19(20)26-22(28)30/h2-7,12,14,18H,8-11,13H2,1H3,(H,25,29)(H,26,30)/t14-/m0/s1
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| InChIKey |
JXQVDGTUPQYPNH-AWEZNQCLSA-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
Protein ID: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2