General Information of the Compound
| Compound ID |
CP0445110
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| Compound Name |
US10201546, Example 136a
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| Structure |
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| Formula |
C26H28ClN5O2
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| Molecular Weight |
477.996
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| Canonical SMILES |
COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
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| InChI |
InChI=1S/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3
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| InChIKey |
FXALQDYOXKYAHX-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