General Information of the Compound
| Compound ID |
CP0536616
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| Compound Name |
2-amino-N-[4-(3-benzyl-5-cyclohexyl-8-methyl-2-oxo-1,3,4-benzotriazepin-1-yl)phenyl]-3-methylbutanamide
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| Structure |
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| Formula |
C33H39N5O2
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| Molecular Weight |
537.708
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| Canonical SMILES |
CC(C)C(N)C(=O)Nc1ccc(cc1)N1c2cc(C)ccc2C(=NN(Cc2ccccc2)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C33H39N5O2/c1-22(2)30(34)32(39)35-26-15-17-27(18-16-26)38-29-20-23(3)14-19-28(29)31(25-12-8-5-9-13-25)36-37(33(38)40)21-24-10-6-4-7-11-24/h4,6-7,10-11,14-20,22,25,30H,5,8-9,12-13,21,34H2,1-3H3,(H,35,39)
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| InChIKey |
HZDXXQUJKUTOOT-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