General Information of the Compound
| Compound ID |
CP0507977
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| Compound Name |
1-(4-[N-(Carboxymethylcarbamoyl)aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C22H25N3O4
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| Molecular Weight |
395.459
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)NCC(O)=O)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C22H25N3O4/c1-15-12-17(9-10-18(15)13-23-22(29)24-14-20(26)27)21(28)25-11-5-4-7-16-6-2-3-8-19(16)25/h2-3,6,8-10,12H,4-5,7,11,13-14H2,1H3,(H,26,27)(H2,23,24,29)
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| InChIKey |
SKAMMHFAAPVGDE-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