General Information of the Compound
| Compound ID |
CP0572442
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| Compound Name |
US9314468, Table 7, Compound 108
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| Structure |
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| Formula |
C27H25N5
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| Molecular Weight |
419.532
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| Canonical SMILES |
C(N[C@H]1CCCc2cccnc12)c1nccc2c3ccccc3n(Cc3ccccn3)c12
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| InChI |
InChI=1S/C27H25N5/c1-2-12-25-21(10-1)22-13-16-29-24(27(22)32(25)18-20-9-3-4-14-28-20)17-31-23-11-5-7-19-8-6-15-30-26(19)23/h1-4,6,8-10,12-16,23,31H,5,7,11,17-18H2/t23-/m0/s1
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| InChIKey |
XVSUSWCJFNERBN-QHCPKHFHSA-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