General Information of the Compound
| Compound ID |
CP0567156
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| Compound Name |
4-tert-butyl-N-[3-[5-[3-[(2-chloroacetyl)amino]-4-(morpholine-4-carbonyl)anilino]-1-methyl-6-oxopyridin-3-yl]-2-methylphenyl]benzamide
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| Structure |
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| Formula |
C37H40ClN5O5
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| Molecular Weight |
670.21
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)CCl)c2)c(=O)n(C)c1
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| InChI |
InChI=1S/C37H40ClN5O5/c1-23-28(7-6-8-30(23)41-34(45)24-9-11-26(12-10-24)37(2,3)4)25-19-32(36(47)42(5)22-25)39-27-13-14-29(31(20-27)40-33(44)21-38)35(46)43-15-17-48-18-16-43/h6-14,19-20,22,39H,15-18,21H2,1-5H3,(H,40,44)(H,41,45)
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| InChIKey |
QNHYMRZMXZIGAP-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