General Information of the Compound
| Compound ID |
CP0578351
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| Compound Name |
4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
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| Formula |
C23H21BrN2O2S
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| Molecular Weight |
469.404
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| Canonical SMILES |
Cc1ccc2NC(=O)CN(C(c3cc(C)cc(C)c3)c2c1)C(=O)c1ccc(Br)s1
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| InChI |
InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)
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| InChIKey |
NIPTUMFVYBXSMZ-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