General Information of the Compound
| Compound ID |
CP0549504
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| Compound Name |
1-[4-(3-aminopropylamino)phenyl]-5-cyclohexyl-3,3-dimethyl-2-oxo-1,4-benzodiazepine-8-carbonitrile
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| Structure |
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| Formula |
C27H33N5O
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| Molecular Weight |
443.595
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| Canonical SMILES |
CC1(C)N=C(C2CCCCC2)c2ccc(cc2N(c2ccc(NCCCN)cc2)C1=O)C#N
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| InChI |
InChI=1S/C27H33N5O/c1-27(2)26(33)32(22-12-10-21(11-13-22)30-16-6-15-28)24-17-19(18-29)9-14-23(24)25(31-27)20-7-4-3-5-8-20/h9-14,17,20,30H,3-8,15-16,28H2,1-2H3
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| InChIKey |
HDQBSEYFDVMERK-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