General Information of the Compound
| Compound ID |
CP0016251
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| Compound Name |
3,4-Methylenedioxyb-Nitrostyrene
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| Synonyms |
NSC 10120
NSC 105303
NSC 170724
SBB007833
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| Structure |
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| Formula |
C9H7NO4
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| Molecular Weight |
193.158
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| Canonical SMILES |
[O-][N+](=O)\C=C\c1ccc2OCOc2c1
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| InChI |
InChI=1S/C9H7NO4/c11-10(12)4-3-7-1-2-8-9(5-7)14-6-13-8/h1-5H,6H2/b4-3+
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| InChIKey |
KFLWBZPSJQPRDD-ONEGZZNKSA-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
Protein ID: PT03356, NACHT, LRR and PYD domains-containing protein 3
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Protein ID: PT02021, Transitional endoplasmic reticulum ATPase
Clinical Information about the Compound