General Information of the Compound
| Compound ID |
CP0879925
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| Compound Name |
3-Chloro-4-((1R,2S,6R,7S)-3,5-dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-quinolin-8-yl-benzamide
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| Structure |
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| Formula |
C25H18ClN3O3
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| Molecular Weight |
443.89
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| Canonical SMILES |
O=C(Nc1cccc2cccnc12)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)c(Cl)c1
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| InChI |
InChI=1S/C25H18ClN3O3/c26-17-12-16(23(30)28-18-5-1-3-13-4-2-10-27-22(13)18)8-9-19(17)29-24(31)20-14-6-7-15(11-14)21(20)25(29)32/h1-10,12,14-15,20-21H,11H2,(H,28,30)/t14-,15+,20-,21+
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| InChIKey |
HKQKEMHBXTYKIY-RWFYYTQISA-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