General Information of the Compound
| Compound ID |
CP0162124
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| Compound Name |
3-[[2-[5-cyclohexyl-1-(2-ethoxyethyl)-2-oxo-1,3,4-benzotriazepin-3-yl]acetyl]amino]benzoic acid
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| Structure |
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| Formula |
C27H32N4O5
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| Molecular Weight |
492.576
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| Canonical SMILES |
CCOCCN1c2ccccc2C(=NN(CC(=O)Nc2cccc(c2)C(O)=O)C1=O)C1CCCCC1
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| InChI |
InChI=1S/C27H32N4O5/c1-2-36-16-15-30-23-14-7-6-13-22(23)25(19-9-4-3-5-10-19)29-31(27(30)35)18-24(32)28-21-12-8-11-20(17-21)26(33)34/h6-8,11-14,17,19H,2-5,9-10,15-16,18H2,1H3,(H,28,32)(H,33,34)
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| InChIKey |
JIFNMQWJVMHZSY-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