General Information of the Compound
| Compound ID |
CP0523940
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| Compound Name |
US9314468, Table 7, Compound 113
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| Structure |
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| Formula |
C34H39N7
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| Molecular Weight |
545.735
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| Canonical SMILES |
C(CN(Cc1nccc2c3ccccc3n(Cc3ccccn3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
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| InChI |
InChI=1S/C34H39N7/c1-2-12-31-28(11-1)29-14-17-37-30(34(29)41(31)24-27-10-3-4-15-36-27)25-40(21-7-20-39-22-18-35-19-23-39)32-13-5-8-26-9-6-16-38-33(26)32/h1-4,6,9-12,14-17,32,35H,5,7-8,13,18-25H2/t32-/m0/s1
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| InChIKey |
ZNWWVFUMACKVMN-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