General Information of the Compound
| Compound ID |
CP0545812
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| Compound Name |
US9314468, Table 7, Compound 130
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| Structure |
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| Formula |
C35H40N6
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| Molecular Weight |
544.747
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| Canonical SMILES |
C(CN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc12)CN1CCNCC1
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| InChI |
InChI=1S/C35H40N6/c1-2-9-27(10-3-1)25-41-32-14-5-4-13-29(32)30-16-18-37-31(35(30)41)26-40(22-8-21-39-23-19-36-20-24-39)33-15-6-11-28-12-7-17-38-34(28)33/h1-5,7,9-10,12-14,16-18,33,36H,6,8,11,15,19-26H2/t33-/m0/s1
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| InChIKey |
FISURVXVMMHVJY-XIFFEERXSA-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