General Information of the Compound
| Compound ID |
CP0553095
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| Compound Name |
1-(cyclopropylmethyl)-5-[3-(1-methylbenzimidazol-2-yl)propoxy]-3-(2-phenylpyrazol-3-yl)pyridazin-4-one
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| Structure |
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| Formula |
C28H28N6O2
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| Molecular Weight |
480.572
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| Canonical SMILES |
Cn1c(CCCOc2cn(CC3CC3)nc(-c3ccnn3-c3ccccc3)c2=O)nc2ccccc12
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| InChI |
InChI=1S/C28H28N6O2/c1-32-23-11-6-5-10-22(23)30-26(32)12-7-17-36-25-19-33(18-20-13-14-20)31-27(28(25)35)24-15-16-29-34(24)21-8-3-2-4-9-21/h2-6,8-11,15-16,19-20H,7,12-14,17-18H2,1H3
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| InChIKey |
ZPCWQIXNFCKPGZ-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