General Information of the Compound
| Compound ID |
CP0944469
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| Compound Name |
3H-benzimidazol-5-yl-[(3R,5R)-4-(2-fluoro-4-methoxy-benzoyl)-3,5-dimethyl-piperazin-1-yl]methanone
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| Structure |
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| Formula |
C22H23FN4O3
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| Molecular Weight |
410.449
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| Canonical SMILES |
COc1ccc(C(=O)N2[C@H](C)CN(C(=O)c3ccc4nc[nH]c4c3)C[C@H]2C)c(F)c1
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| InChI |
InChI=1S/C22H23FN4O3/c1-13-10-26(21(28)15-4-7-19-20(8-15)25-12-24-19)11-14(2)27(13)22(29)17-6-5-16(30-3)9-18(17)23/h4-9,12-14H,10-11H2,1-3H3,(H,24,25)/t13-,14-/m1/s1
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| InChIKey |
QTWYNBKXCSDQOJ-ZIAGYGMSSA-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