General Information of the Compound
| Compound ID |
CP0946154
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| Compound Name |
US9314468, Table 7, Compound 39
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| Structure |
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| Formula |
C28H34N6
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| Molecular Weight |
454.622
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| Canonical SMILES |
c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c1[nH]c1ccccc12
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| InChI |
InChI=1S/C28H34N6/c1-2-9-24-22(8-1)23-11-13-30-25(28(23)32-24)20-34(17-5-16-33-18-14-29-15-19-33)26-10-3-6-21-7-4-12-31-27(21)26/h1-2,4,7-9,11-13,26,29,32H,3,5-6,10,14-20H2/t26-/m0/s1
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| InChIKey |
MTHMOJWEZVPMBO-SANMLTNESA-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