General Information of the Compound
| Compound ID |
CP0569307
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| Compound Name |
N-[4-[1-(3-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]benzamide
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| Structure |
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| Formula |
C30H34N4O3
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| Molecular Weight |
498.627
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCOCC2)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C30H34N4O3/c35-29(24-8-2-1-3-9-24)31-26-14-12-25(13-15-26)30(36)34-19-7-18-33(27-10-4-5-11-28(27)34)17-6-16-32-20-22-37-23-21-32/h1-5,8-15H,6-7,16-23H2,(H,31,35)
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| InChIKey |
DOSANIPLACRYCO-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