General Information of the Compound
| Compound ID |
CP0333594
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| Compound Name |
methyl 2-[9-(4-amino-3-methoxyphenyl)-6-oxo-5,11-dihydrobenzo[b][1,4]benzodiazepin-3-yl]acetate
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| Structure |
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| Formula |
C23H21N3O4
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| Molecular Weight |
403.438
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| Canonical SMILES |
COC(=O)Cc1ccc2Nc3cc(ccc3C(=O)Nc2c1)-c1ccc(N)c(OC)c1
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| InChI |
InChI=1S/C23H21N3O4/c1-29-21-12-15(5-7-17(21)24)14-4-6-16-19(11-14)25-18-8-3-13(10-22(27)30-2)9-20(18)26-23(16)28/h3-9,11-12,25H,10,24H2,1-2H3,(H,26,28)
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| InChIKey |
UKFROVUCAJTDIC-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