General Information of the Compound
| Compound ID |
CP0442488
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| Compound Name |
US10336717, Compound 121
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| Structure |
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2ccccc2CC1)-c1cccnn1
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| InChI |
InChI=1S/C25H25N5O/c1-30-23(26)28-25(31-30)21-15-19(22-7-4-14-27-29-22)8-9-20(21)16-24(25)12-10-17-5-2-3-6-18(17)11-13-24/h2-9,14-15H,10-13,16H2,1H3,(H2,26,28)
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| InChIKey |
MXFAQZDMAKROOV-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