General Information of the Compound
| Compound ID |
CP0539595
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| Compound Name |
1-[4-(2-aminoethylamino)phenyl]-5-cyclohexyl-8-methoxy-3,3-dimethyl-1,4-benzodiazepin-2-one
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| Structure |
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| Formula |
C26H34N4O2
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| Molecular Weight |
434.584
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| Canonical SMILES |
COc1ccc2c(c1)N(c1ccc(NCCN)cc1)C(=O)C(C)(C)N=C2C1CCCCC1
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| InChI |
InChI=1S/C26H34N4O2/c1-26(2)25(31)30(20-11-9-19(10-12-20)28-16-15-27)23-17-21(32-3)13-14-22(23)24(29-26)18-7-5-4-6-8-18/h9-14,17-18,28H,4-8,15-16,27H2,1-3H3
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| InChIKey |
QPCASFMYNVAVSG-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