General Information of the Compound
| Compound ID |
CP0551688
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| Compound Name |
9-methoxy-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)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 |
C26H29N5O5
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| Molecular Weight |
491.548
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| Canonical SMILES |
COc1cc(=O)n2CCN(CCc2c1C(=O)N(C)Cc1nonc1C)C(=O)C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C26H29N5O5/c1-17-19(28-36-27-17)16-29(2)24(33)23-20-9-12-30(13-14-31(20)22(32)15-21(23)35-3)25(34)26(10-11-26)18-7-5-4-6-8-18/h4-8,15H,9-14,16H2,1-3H3
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| InChIKey |
TVABJJXCVMLTQO-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