General Information of the Compound
| Compound ID |
CP0457966
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| Compound Name |
2-amino-N-[4-(3-benzyl-5-cyclohexyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]acetamide
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| Structure |
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| Formula |
C29H31N5O2
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| Molecular Weight |
481.6
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| Canonical SMILES |
NCC(=O)Nc1ccc(cc1)N1c2ccccc2C(=NN(Cc2ccccc2)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C29H31N5O2/c30-19-27(35)31-23-15-17-24(18-16-23)34-26-14-8-7-13-25(26)28(22-11-5-2-6-12-22)32-33(29(34)36)20-21-9-3-1-4-10-21/h1,3-4,7-10,13-18,22H,2,5-6,11-12,19-20,30H2,(H,31,35)
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| InChIKey |
IDJHHMXOXTVVKM-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