General Information of the Compound
| Compound ID |
CP0404252
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| Compound Name |
3-[1-[2-[5-[3-chloro-5-[2-(dimethylamino)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]acetyl]piperidin-4-yl]-4,5-dihydro-1H-1,3-benzodiazepin-2-one
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| Structure |
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| Formula |
C28H33ClN6O4
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| Molecular Weight |
553.063
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| Canonical SMILES |
CN(C)CCOc1cc(Cl)cc(c1)-c1nnc(CC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)o1
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| InChI |
InChI=1S/C28H33ClN6O4/c1-33(2)13-14-38-23-16-20(15-21(29)17-23)27-32-31-25(39-27)18-26(36)34-10-8-22(9-11-34)35-12-7-19-5-3-4-6-24(19)30-28(35)37/h3-6,15-17,22H,7-14,18H2,1-2H3,(H,30,37)
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| InChIKey |
NMZFBHXQCNOZOX-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