General Information of the Compound
| Compound ID |
CP0523361
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| Compound Name |
US9314468, Table 7, Compound 106
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| Structure |
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| Formula |
C34H45N7O
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| Molecular Weight |
567.782
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| Canonical SMILES |
C(CN(Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
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| InChI |
InChI=1S/C34H45N7O/c1-2-9-31-28(8-1)29-11-13-36-30(34(29)41(31)21-20-39-22-24-42-25-23-39)26-40(17-5-16-38-18-14-35-15-19-38)32-10-3-6-27-7-4-12-37-33(27)32/h1-2,4,7-9,11-13,32,35H,3,5-6,10,14-26H2/t32-/m0/s1
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| InChIKey |
GXPPYEGXOSWLLT-YTTGMZPUSA-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