General Information of the Compound
| Compound ID |
CP0556535
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| Compound Name |
US9314468, Table 7, Compound 79
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| Structure |
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| Formula |
C24H27N5
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| Molecular Weight |
385.515
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| Canonical SMILES |
CN(Cc1nccc2c3ccccc3n(CCN)c12)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C24H27N5/c1-28(22-10-4-6-17-7-5-13-27-23(17)22)16-20-24-19(11-14-26-20)18-8-2-3-9-21(18)29(24)15-12-25/h2-3,5,7-9,11,13-14,22H,4,6,10,12,15-16,25H2,1H3/t22-/m0/s1
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| InChIKey |
YPIBGKBPCMCEEX-QFIPXVFZSA-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