General Information of the Compound
| Compound ID |
CP0467677
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| Compound Name |
2-chloro-4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxypyrazin-2-yl)benzamide
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| Structure |
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| Formula |
C28H22Cl2N6O4
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| Molecular Weight |
577.428
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| Canonical SMILES |
COc1cnc(NC(=O)c2ccc(CN3[C@H](Cc4ccccn4)C(=O)Nc4cc(Cl)ccc4C3=O)cc2Cl)cn1
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| InChI |
InChI=1S/C28H22Cl2N6O4/c1-40-25-14-32-24(13-33-25)35-26(37)19-7-5-16(10-21(19)30)15-36-23(12-18-4-2-3-9-31-18)27(38)34-22-11-17(29)6-8-20(22)28(36)39/h2-11,13-14,23H,12,15H2,1H3,(H,34,38)(H,32,35,37)/t23-/m1/s1
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| InChIKey |
DWTWDVBAQWZGGX-HSZRJFAPSA-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