General Information of the Compound
| Compound ID |
CP0538060
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| Compound Name |
1-(3-Methyl-4-[3-(2-oxo-1,2-dihydropyrid-3-yl)ureidomethyllbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
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| Structure |
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| Formula |
C25H26N4O3
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| Molecular Weight |
430.508
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| Canonical SMILES |
Cc1cc(ccc1CNC(=O)Nc1ccc[nH]c1=O)C(=O)N1CCCCc2ccccc12
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| InChI |
InChI=1S/C25H26N4O3/c1-17-15-19(24(31)29-14-5-4-8-18-7-2-3-10-22(18)29)11-12-20(17)16-27-25(32)28-21-9-6-13-26-23(21)30/h2-3,6-7,9-13,15H,4-5,8,14,16H2,1H3,(H,26,30)(H2,27,28,32)
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| InChIKey |
HTTCDYOZEPJSFW-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