General Information of the Compound
| Compound ID |
CP0525963
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| Compound Name |
5-(5,5-bis(5-chlorothiophen-2-yl)-2-oxo-1,2,3,5-tetrahydrobenzo[e][1,4]oxazepin-7-yl)-1-methyl-1H-pyrrole-2-carbonitrile
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| Structure |
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| Formula |
C23H15Cl2N3O2S2
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| Molecular Weight |
500.432
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| Canonical SMILES |
Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccc(Cl)s3)(c3ccc(Cl)s3)c2c1)C#N
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| InChI |
InChI=1S/C23H15Cl2N3O2S2/c1-28-14(11-26)3-5-17(28)13-2-4-16-15(10-13)23(30-12-22(29)27-16,18-6-8-20(24)31-18)19-7-9-21(25)32-19/h2-10H,12H2,1H3,(H,27,29)
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| InChIKey |
LPRQNICNUXCZFV-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