General Information of the Compound
| Compound ID |
CP0556948
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| Compound Name |
11-[2-[4-(4-aminobutyl)piperidin-1-yl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C28H32F6N4O6
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| Molecular Weight |
634.574
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| Canonical SMILES |
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C24H30N4O2.2C2HF3O2/c25-14-6-5-7-18-12-15-27(16-13-18)17-23(29)28-21-10-3-1-8-19(21)24(30)26-20-9-2-4-11-22(20)28;2*3-2(4,5)1(6)7/h1-4,8-11,18H,5-7,12-17,25H2,(H,26,30);2*(H,6,7)
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| InChIKey |
HFSCDSCYHAJXCU-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