General Information of the Compound
| Compound ID |
CP0902063
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| Compound Name |
trans-4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-((2-hydroxy-cyclohexyl)-benzamide
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| Structure |
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| Formula |
C22H24N2O4
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| Molecular Weight |
380.444
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| Canonical SMILES |
O=C(N[C@H]1CCCC[C@@H]1O)c1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C2)cc1
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| InChI |
InChI=1S/C22H24N2O4/c25-17-4-2-1-3-16(17)23-20(26)12-7-9-15(10-8-12)24-21(27)18-13-5-6-14(11-13)19(18)22(24)28/h5-10,13-14,16-19,25H,1-4,11H2,(H,23,26)/t13-,14+,16-,17-,18-,19+/m0/s1
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| InChIKey |
RALCQZCLOXHNSC-JIYJMNMHSA-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