General Information of the Compound
| Compound ID |
CP0516390
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| Compound Name |
US9314468, Table 7, Compound 126
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| Structure |
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| Formula |
C34H41N7O3
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| Molecular Weight |
595.748
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| Canonical SMILES |
O=C(Cn1c2ccccc2c2ccnc(CN(CCCN3CCNC(=O)C3)[C@H]3CCCc4cccnc34)c12)N1CCOCC1
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| InChI |
InChI=1S/C34H41N7O3/c42-31-23-38(17-14-36-31)15-5-16-40(30-10-3-6-25-7-4-12-37-33(25)30)22-28-34-27(11-13-35-28)26-8-1-2-9-29(26)41(34)24-32(43)39-18-20-44-21-19-39/h1-2,4,7-9,11-13,30H,3,5-6,10,14-24H2,(H,36,42)/t30-/m0/s1
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| InChIKey |
JKOGSJOPSZXTMP-PMERELPUSA-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