General Information of the Compound
| Compound ID |
CP0348336
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| Compound Name |
3-ethyl-2-methoxy-9-(3-methoxy-4-nitrophenyl)-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
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| Structure |
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| Formula |
C23H21N3O5
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| Molecular Weight |
419.437
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| Canonical SMILES |
CCc1cc2NC(=O)c3ccc(cc3Nc2cc1OC)-c1ccc(c(OC)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C23H21N3O5/c1-4-13-9-18-19(12-21(13)30-2)24-17-10-14(5-7-16(17)23(27)25-18)15-6-8-20(26(28)29)22(11-15)31-3/h5-12,24H,4H2,1-3H3,(H,25,27)
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| InChIKey |
CAUGGYDQKLJLKS-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