General Information of the Compound
| Compound ID |
CP0507978
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| Compound Name |
1-(4-[N-(2-Amino-2-oxoethylcarbamoyl)aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C22H26N4O3
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| Molecular Weight |
394.475
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)NCC(N)=O)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C22H26N4O3/c1-15-12-17(9-10-18(15)13-24-22(29)25-14-20(23)27)21(28)26-11-5-4-7-16-6-2-3-8-19(16)26/h2-3,6,8-10,12H,4-5,7,11,13-14H2,1H3,(H2,23,27)(H2,24,25,29)
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| InChIKey |
PADZCOVJJWXXCN-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