General Information of the Compound
| Compound ID |
CP0546032
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| Compound Name |
6-(3-(3- (dimethylamino)-1- phenylpropoxy)phenyl)- 2-(ethylamino)-9- methyl-6,7,8,9- tetrahydro-5H- pyrimido[4,5- e][1,4]diazepin-5-one
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| Structure |
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| Formula |
C27H34N6O2
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| Molecular Weight |
474.609
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| Canonical SMILES |
CCNc1ncc2c(n1)N(C)CCN(c1cccc(OC(CCN(C)C)c3ccccc3)c1)C2=O
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| InChI |
InChI=1S/C27H34N6O2/c1-5-28-27-29-19-23-25(30-27)32(4)16-17-33(26(23)34)21-12-9-13-22(18-21)35-24(14-15-31(2)3)20-10-7-6-8-11-20/h6-13,18-19,24H,5,14-17H2,1-4H3,(H,28,29,30)
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| InChIKey |
YMFQGYSHWSFIGC-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