General Information of the Compound
| Compound ID |
CP0860543
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| Compound Name |
4-[(1S,6R,7S)-8-(4-Butyl-benzoyl)-3,5-dioxo-2,4,8-triaza-tricyclo[5.2.1.0*2,6*]dec-4-yl]-benzonitrile
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| Structure |
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| Formula |
C25H24N4O3
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| Molecular Weight |
428.492
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| Canonical SMILES |
CCCCc1ccc(C(=O)N2C[C@@H]3C[C@H]2[C@@H]2C(=O)N(c4ccc(C#N)cc4)C(=O)N32)cc1
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| InChI |
InChI=1S/C25H24N4O3/c1-2-3-4-16-5-9-18(10-6-16)23(30)27-15-20-13-21(27)22-24(31)29(25(32)28(20)22)19-11-7-17(14-26)8-12-19/h5-12,20-22H,2-4,13,15H2,1H3/t20-,21-,22+/m0/s1
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| InChIKey |
AEGJLHDLWLYTIT-FDFHNCONSA-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