General Information of the Compound
| Compound ID |
CP0322326
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| Compound Name |
US10618902, Compound I-254
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| Structure |
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| Formula |
C23H24ClN5O5
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| Molecular Weight |
485.928
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| Canonical SMILES |
COc1cc(OC)c(Cl)c(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O
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| InChI |
InChI=1S/C23H24ClN5O5/c1-5-19(30)26-16-10-34-11-17(16)27-23-25-9-12-6-15(22(31)29(2)21(12)28-23)14-7-13(32-3)8-18(33-4)20(14)24/h5-9,16-17H,1,10-11H2,2-4H3,(H,26,30)(H,25,27,28)/t16-,17+/m0/s1
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| InChIKey |
WTKBTMUUWJPQPW-DLBZAZTESA-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