General Information of the Compound
| Compound ID |
CP0875094
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| Compound Name |
N-((endo)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1-(3-((7-nitrobenzo[c][1,2,5]oxadiazol-4-yl)amino)propyl)-1H-indazole-3-carboxamide
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| Formula |
C26H30N8O4
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| Molecular Weight |
518.578
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| Canonical SMILES |
CN1[C@@H]2CCC[C@H]1C[C@H](NC(=O)c1nn(CCCNc3ccc([N+](=O)[O-])c4nonc34)c3ccccc13)C2
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| InChI |
InChI=1S/C26H30N8O4/c1-32-17-6-4-7-18(32)15-16(14-17)28-26(35)23-19-8-2-3-9-21(19)33(29-23)13-5-12-27-20-10-11-22(34(36)37)25-24(20)30-38-31-25/h2-3,8-11,16-18,27H,4-7,12-15H2,1H3,(H,28,35)/t16-,17-,18+
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| InChIKey |
TXJVVQVHDLOBCQ-NNZMDNLPSA-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