General Information of the Compound
| Compound ID |
CP0554299
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| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-5-cyclohexyl-3,3-dimethyl-2-oxo-1,4-benzodiazepine-8-carbonitrile
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| Structure |
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| Formula |
C26H31N5O
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| Molecular Weight |
429.568
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| Canonical SMILES |
CC1(C)N=C(C2CCCCC2)c2ccc(cc2N(c2ccc(NCCN)cc2)C1=O)C#N
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| InChI |
InChI=1S/C26H31N5O/c1-26(2)25(32)31(21-11-9-20(10-12-21)29-15-14-27)23-16-18(17-28)8-13-22(23)24(30-26)19-6-4-3-5-7-19/h8-13,16,19,29H,3-7,14-15,27H2,1-2H3
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| InChIKey |
VPHICMKCJCZEGG-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