General Information of the Compound
| Compound ID |
CP0419948
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| Compound Name |
US10336717, Compound 452
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| Structure |
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| Formula |
C23H22ClN5O2
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| Molecular Weight |
435.915
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cncc(Cl)c1
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| InChI |
InChI=1S/C23H22ClN5O2/c1-13-18-10-22(6-5-20(18)30-28-13)9-15-4-3-14(16-7-17(24)12-26-11-16)8-19(15)23(22)27-21(25)29(2)31-23/h3-4,7-8,11-12H,5-6,9-10H2,1-2H3,(H2,25,27)
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| InChIKey |
DAUAAOIXKZLQAE-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