General Information of the Compound
| Compound ID |
CP0500554
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| Compound Name |
(E)-4-(3-(morpholine-4-carbonyl)phenyl)-8-(2-phenylethynyl)-1H-benzo[b][1,4]diazepin-2(3H)-one
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| Structure |
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| Formula |
C28H23N3O3
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| Molecular Weight |
449.51
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| Canonical SMILES |
O=C(N1CCOCC1)c1cccc(c1)C1=Nc2ccc(cc2NC(=O)C1)C#Cc1ccccc1
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| InChI |
InChI=1S/C28H23N3O3/c32-27-19-25(22-7-4-8-23(18-22)28(33)31-13-15-34-16-14-31)29-24-12-11-21(17-26(24)30-27)10-9-20-5-2-1-3-6-20/h1-8,11-12,17-18H,13-16,19H2,(H,30,32)
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| InChIKey |
RISXUSRWZVDWSS-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