General Information of the Compound
| Compound ID |
CP0070022
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| Compound Name |
US10005782, Compound 136
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| Formula |
C26H25N5O3
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| Molecular Weight |
455.518
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| Canonical SMILES |
NC(=O)c1c(nn2c(c[nH]c12)C1CCN(CC1)C(=O)C=C)-c1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C26H25N5O3/c1-2-22(32)30-14-12-17(13-15-30)21-16-28-26-23(25(27)33)24(29-31(21)26)18-8-10-20(11-9-18)34-19-6-4-3-5-7-19/h2-11,16-17,28H,1,12-15H2,(H2,27,33)
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| InChIKey |
FQTTXADHIKDUOM-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