General Information of the Compound
| Compound ID |
CP0545939
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| Compound Name |
US9314468, Table 8, Compound 16
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| Structure |
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| Formula |
C30H36N6O2
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| Molecular Weight |
512.658
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| Canonical SMILES |
OC(=O)Cn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)C3CCCc4cccnc34)c12
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| InChI |
InChI=1S/C30H36N6O2/c37-28(38)21-36-26-9-2-1-8-23(26)24-11-13-32-25(30(24)36)20-35(17-5-16-34-18-14-31-15-19-34)27-10-3-6-22-7-4-12-33-29(22)27/h1-2,4,7-9,11-13,27,31H,3,5-6,10,14-21H2,(H,37,38)
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| InChIKey |
DQIXSGCNKIWJOJ-UHFFFAOYSA-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