General Information of the Compound
| Compound ID |
CP0932456
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| Compound Name |
US9314468, Table 7, Compound 42
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| Structure |
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| Formula |
C25H29N5
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| Molecular Weight |
399.542
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| Canonical SMILES |
NCCCCN(Cc1nccc2c1[nH]c1ccccc12)[C@H]1CCCc2cccnc21
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| InChI |
InChI=1S/C25H29N5/c26-13-3-4-16-30(23-11-5-7-18-8-6-14-28-24(18)23)17-22-25-20(12-15-27-22)19-9-1-2-10-21(19)29-25/h1-2,6,8-10,12,14-15,23,29H,3-5,7,11,13,16-17,26H2/t23-/m0/s1
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| InChIKey |
ZGIHVBKQAQIYMQ-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