General Information of the Compound
| Compound ID |
CP0374233
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| Compound Name |
N-[(1S)-2-[4-(4-fluoro-2-keto-3H-benzimidazol-1-yl)piperidino]-1-methyl-ethyl]-2-naphthamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H27FN4O2
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| Molecular Weight |
446.526
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| Canonical SMILES |
C[C@@H](CN1CCC(CC1)n1c2cccc(F)c2[nH]c1=O)NC(=O)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C26H27FN4O2/c1-17(28-25(32)20-10-9-18-5-2-3-6-19(18)15-20)16-30-13-11-21(12-14-30)31-23-8-4-7-22(27)24(23)29-26(31)33/h2-10,15,17,21H,11-14,16H2,1H3,(H,28,32)(H,29,33)/t17-/m0/s1
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| InChIKey |
YTIFTWQMOWHWAZ-KRWDZBQOSA-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