General Information of the Compound
| Compound ID |
CP0916543
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| Compound Name |
4-((1R,2S,6R,7S)-3,5-Dioxo-4-aza-tricyclo[5.2.1.0*2,6*]dec-8-en-4-yl)-N-pyridin-3-ylmethyl-benzamide
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| Structure |
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| Formula |
C22H19N3O3
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| Molecular Weight |
373.412
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| Canonical SMILES |
O=C(NCc1cccnc1)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/C22H19N3O3/c26-20(24-12-13-2-1-9-23-11-13)14-5-7-17(8-6-14)25-21(27)18-15-3-4-16(10-15)19(18)22(25)28/h1-9,11,15-16,18-19H,10,12H2,(H,24,26)/t15-,16+,18-,19+
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| InChIKey |
ABXSHXCLXMVGFZ-AMBYYYRHSA-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