General Information of the Compound
| Compound ID |
CP0487993
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| Compound Name |
1-(3,5-dichlorobenzoyl)-4-[1-[(3-methylphenyl)methoxy]-3-phenylpropan-2-yl]-1,4-diazepan-5-one
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| Structure |
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| Formula |
C29H30Cl2N2O3
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| Molecular Weight |
525.476
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| Canonical SMILES |
Cc1cccc(COCC(Cc2ccccc2)N2CCN(CCC2=O)C(=O)c2cc(Cl)cc(Cl)c2)c1
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| InChI |
InChI=1S/C29H30Cl2N2O3/c1-21-6-5-9-23(14-21)19-36-20-27(15-22-7-3-2-4-8-22)33-13-12-32(11-10-28(33)34)29(35)24-16-25(30)18-26(31)17-24/h2-9,14,16-18,27H,10-13,15,19-20H2,1H3
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| InChIKey |
APVMERITXQMCHA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3