General Information of the Compound
| Compound ID |
CP0537725
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| Compound Name |
2-[(1-cyclopropylmethyl-piperidin-4-ylidene)-(4-pyrimidin-5-yl-phenyl)-methyl]-5-fluoro-6-trifluoromethyl-1H-benzoimidazole
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| Structure |
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| Formula |
C28H25F4N5
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| Molecular Weight |
507.535
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| Canonical SMILES |
Fc1cc2[nH]c(nc2cc1C(F)(F)F)C(=C1CCN(CC2CC2)CC1)c1ccc(cc1)-c1cncnc1
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| InChI |
InChI=1S/C28H25F4N5/c29-23-12-25-24(11-22(23)28(30,31)32)35-27(36-25)26(20-7-9-37(10-8-20)15-17-1-2-17)19-5-3-18(4-6-19)21-13-33-16-34-14-21/h3-6,11-14,16-17H,1-2,7-10,15H2,(H,35,36)
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| InChIKey |
XKXIPIIMLKOLPF-UHFFFAOYSA-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