General Information of the Compound
| Compound ID |
CP0473495
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| Compound Name |
US10266535, Compound 33
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| Structure |
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| Formula |
C29H33N7O2
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| Molecular Weight |
511.63
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| Canonical SMILES |
CN1CCC(CC1)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C29H33N7O2/c1-34-16-13-21(14-17-34)29(37)35-15-5-6-22(18-35)36-28-25(27(30)31-19-32-28)26(33-36)20-9-11-24(12-10-20)38-23-7-3-2-4-8-23/h2-4,7-12,19,21-22H,5-6,13-18H2,1H3,(H2,30,31,32)/t22-/m1/s1
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| InChIKey |
UAHGKVLVIDPPFN-JOCHJYFZSA-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