General Information of the Compound
| Compound ID |
CP0969064
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| Compound Name |
2-cyano-1-[8-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]octyl]-3-[3-[3-(1-piperidylmethyl)phenoxy]propyl]guanidine
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| Structure |
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| Formula |
C31H43N9O4
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| Molecular Weight |
605.744
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| Canonical SMILES |
N#CN/C(=N\CCCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)NCCCOc1cccc(CN2CCCCC2)c1
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| InChI |
InChI=1S/C31H43N9O4/c32-24-36-31(35-18-11-21-43-26-13-10-12-25(22-26)23-39-19-8-5-9-20-39)34-17-7-4-2-1-3-6-16-33-27-14-15-28(40(41)42)30-29(27)37-44-38-30/h10,12-15,22,33H,1-9,11,16-21,23H2,(H2,34,35,36)
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| InChIKey |
RKMIUFVZCIRLFK-UHFFFAOYSA-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