General Information of the Compound
| Compound ID |
CP0634595
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| Compound Name |
1-ethyl-3,3,5-trimethyl-7-{3-[[2-(2-methyl-4-oxo-4H-furo[3,2-c]pyridin-5-yl)ethyl]-(2-propylpyridin-3-ylmethyl)amino]propoxy}-1,5-dihydrobenzo[b][1,4]diazepine-2,4-dione dihydrochloride
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| Structure |
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| Formula |
C36H47Cl2N5O5
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| Molecular Weight |
700.708
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| Canonical SMILES |
CCCc1ncccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2CC)CCn1ccc2oc(C)cc2c1=O.Cl.Cl
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| InChI |
InChI=1S/C36H45N5O5.2ClH/c1-7-11-29-26(12-9-16-37-29)24-39(19-20-40-18-15-32-28(33(40)42)22-25(3)46-32)17-10-21-45-27-13-14-30-31(23-27)38(6)34(43)36(4,5)35(44)41(30)8-2;;/h9,12-16,18,22-23H,7-8,10-11,17,19-21,24H2,1-6H3;2*1H
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| InChIKey |
CDVFXKNCNBTLGA-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