General Information of the Compound
| Compound ID |
CP0428412
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| Compound Name |
N-[3-[(5-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-4-[3-(dimethylamino)phenyl]benzamide
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| Structure |
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| Formula |
C31H33ClN6O2
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| Molecular Weight |
557.098
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| Canonical SMILES |
CN(C)c1cccc(c1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNCC3)c(Cl)c2=O)c1C
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| InChI |
InChI=1S/C31H33ClN6O2/c1-21-25(20-38-31(40)29(32)28(19-34-38)37-16-14-33-15-17-37)7-5-9-27(21)35-30(39)23-12-10-22(11-13-23)24-6-4-8-26(18-24)36(2)3/h4-13,18-19,33H,14-17,20H2,1-3H3,(H,35,39)
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| InChIKey |
UPJMBFUQDSWRDV-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