General Information of the Compound
| Compound ID |
CP0459069
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| Compound Name |
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-2-methoxy-N-(5-methoxypyridin-2-yl)benzamide
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| Structure |
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| Formula |
C30H26ClN5O5
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| Molecular Weight |
572.021
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(CN3[C@H](Cc4ccccn4)C(=O)Nc4cc(Cl)ccc4C3=O)cc2OC)nc1
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| InChI |
InChI=1S/C30H26ClN5O5/c1-40-21-8-11-27(33-16-21)35-28(37)23-9-6-18(13-26(23)41-2)17-36-25(15-20-5-3-4-12-32-20)29(38)34-24-14-19(31)7-10-22(24)30(36)39/h3-14,16,25H,15,17H2,1-2H3,(H,34,38)(H,33,35,37)/t25-/m1/s1
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| InChIKey |
LZMFDVSHHHGSRY-RUZDIDTESA-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
Protein ID: PT06635, Toxin A
Protein ID: PT04302, Toxin B