General Information of the Compound
| Compound ID |
CP0444836
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| Compound Name |
4-[5-chloro-1-[[3-[[4-(6-methoxypyridin-3-yl)benzoyl]amino]-2-methylphenyl]methyl]-6-oxopyridazin-4-yl]piperazine-2-carboxamide
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| Structure |
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| Formula |
C30H30ClN7O4
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| Molecular Weight |
588.068
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| Canonical SMILES |
COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(N3CCNC(C3)C(N)=O)c(Cl)c2=O)c1C
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| InChI |
InChI=1S/C30H30ClN7O4/c1-18-22(16-38-30(41)27(31)25(15-35-38)37-13-12-33-24(17-37)28(32)39)4-3-5-23(18)36-29(40)20-8-6-19(7-9-20)21-10-11-26(42-2)34-14-21/h3-11,14-15,24,33H,12-13,16-17H2,1-2H3,(H2,32,39)(H,36,40)
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| InChIKey |
OACZLQJNFVJISX-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