General Information of the Compound
| Compound ID |
CP0563740
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| Compound Name |
5-cyclohexyl-1-[4-[2-(cyclohexylamino)ethylamino]phenyl]-3,3-dimethyl-2-oxo-1,4-benzodiazepine-8-carbonitrile
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| Structure |
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| Formula |
C32H41N5O
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| Molecular Weight |
511.714
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| Canonical SMILES |
CC1(C)N=C(C2CCCCC2)c2ccc(cc2N(c2ccc(NCCNC3CCCCC3)cc2)C1=O)C#N
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| InChI |
InChI=1S/C32H41N5O/c1-32(2)31(38)37(27-16-14-26(15-17-27)35-20-19-34-25-11-7-4-8-12-25)29-21-23(22-33)13-18-28(29)30(36-32)24-9-5-3-6-10-24/h13-18,21,24-25,34-35H,3-12,19-20H2,1-2H3
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| InChIKey |
LNKXWJWWNFIKNF-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