General Information of the Compound
| Compound ID |
CP0477964
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| Compound Name |
US9314468, Table 7, Compound 118
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| Structure |
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| Formula |
C37H43N7O2
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| Molecular Weight |
617.798
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| Canonical SMILES |
O=C(Cn1c2ccccc2c2ccnc(CN(CCCCNCc3ccncc3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
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| InChI |
InChI=1S/C37H43N7O2/c45-35(42-21-23-46-24-22-42)27-44-33-10-2-1-9-30(33)31-14-19-40-32(37(31)44)26-43(34-11-5-7-29-8-6-16-41-36(29)34)20-4-3-15-39-25-28-12-17-38-18-13-28/h1-2,6,8-10,12-14,16-19,34,39H,3-5,7,11,15,20-27H2/t34-/m0/s1
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| InChIKey |
IFFWGUXVELEIQG-UMSFTDKQSA-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