General Information of the Compound
| Compound ID |
CP0575153
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| Compound Name |
N-[(1R)-1-(furan-2-yl)ethyl]-9-methoxy-N-methyl-7-oxo-3-(1-phenylcyclopropanecarbonyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxamide
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| Structure |
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| Formula |
C28H31N3O5
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| Molecular Weight |
489.572
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| Canonical SMILES |
COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)[C@H](C)c1ccco1)C(=O)C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C28H31N3O5/c1-19(22-10-7-17-36-22)29(2)26(33)25-21-11-14-30(15-16-31(21)24(32)18-23(25)35-3)27(34)28(12-13-28)20-8-5-4-6-9-20/h4-10,17-19H,11-16H2,1-3H3/t19-/m1/s1
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| InChIKey |
GTBWCRILVURROJ-LJQANCHMSA-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