General Information of the Compound
| Compound ID |
CP0576516
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| Compound Name |
2-[4-[[5-(cyclopropylmethoxy)-6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]-1-oxophthalazin-2-yl]acetic acid
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| Structure |
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| Formula |
C23H19F3N4O4
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| Molecular Weight |
472.423
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| Canonical SMILES |
OC(=O)Cn1nc(Cc2nc3cc(c(OCC4CC4)cc3[nH]2)C(F)(F)F)c2ccccc2c1=O
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| InChI |
InChI=1S/C23H19F3N4O4/c24-23(25,26)15-7-17-18(8-19(15)34-11-12-5-6-12)28-20(27-17)9-16-13-3-1-2-4-14(13)22(33)30(29-16)10-21(31)32/h1-4,7-8,12H,5-6,9-11H2,(H,27,28)(H,31,32)
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| InChIKey |
VLWRHCSQKKZBEW-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