General Information of the Compound
| Compound ID |
CP0891121
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| Compound Name |
Methyl 4-(methyl(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)carbamoyl)benzoate
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| Structure |
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| Formula |
C27H28N6O3
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| Molecular Weight |
484.56
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| Canonical SMILES |
COC(=O)c1ccc(C(=O)N(C)C2CCN(c3nnc(-c4ccnn4C)c4ccccc34)CC2)cc1
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| InChI |
InChI=1S/C27H28N6O3/c1-31(26(34)18-8-10-19(11-9-18)27(35)36-3)20-13-16-33(17-14-20)25-22-7-5-4-6-21(22)24(29-30-25)23-12-15-28-32(23)2/h4-12,15,20H,13-14,16-17H2,1-3H3
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| InChIKey |
YFUBHUTUZFXXRA-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