General Information of the Compound
| Compound ID |
CP0575614
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| Compound Name |
2-phenyl-N-[4-[1-(3-piperidin-1-ylpropyl)-3,4-dihydro-2H-1,5-benzodiazepine-5-carbonyl]phenyl]benzamide
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| Structure |
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| Formula |
C37H40N4O2
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| Molecular Weight |
572.753
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| Canonical SMILES |
O=C(Nc1ccc(cc1)C(=O)N1CCCN(CCCN2CCCCC2)c2ccccc12)c1ccccc1-c1ccccc1
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| InChI |
InChI=1S/C37H40N4O2/c42-36(33-16-6-5-15-32(33)29-13-3-1-4-14-29)38-31-21-19-30(20-22-31)37(43)41-28-12-27-40(34-17-7-8-18-35(34)41)26-11-25-39-23-9-2-10-24-39/h1,3-8,13-22H,2,9-12,23-28H2,(H,38,42)
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| InChIKey |
FXXUCVMJXTWLKE-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