General Information of the Compound
| Compound ID |
CP0930475
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| Compound Name |
US9314468, Table 7, Compound 105
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| Structure |
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| Formula |
C29H36N6
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| Molecular Weight |
468.649
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| Canonical SMILES |
CN1CCN(CCCN(Cc2nccc3c2[nH]c2ccccc23)[C@H]2CCCc3cccnc32)CC1
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| InChI |
InChI=1S/C29H36N6/c1-33-17-19-34(20-18-33)15-6-16-35(27-11-4-7-22-8-5-13-31-28(22)27)21-26-29-24(12-14-30-26)23-9-2-3-10-25(23)32-29/h2-3,5,8-10,12-14,27,32H,4,6-7,11,15-21H2,1H3/t27-/m0/s1
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| InChIKey |
MXKRQJJNRDCWPJ-MHZLTWQESA-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