General Information of the Compound
| Compound ID |
CP0429904
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| Compound Name |
US10759794, Example 263
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| Structure |
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| Formula |
C26H25ClN6O
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| Molecular Weight |
472.98
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| Canonical SMILES |
Clc1ccc(cc1)-c1nc2ccc(cn2c1CN1CCN(CC1)C(=O)c1cnccn1)C1CC1
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| InChI |
InChI=1S/C26H25ClN6O/c27-21-6-3-19(4-7-21)25-23(33-16-20(18-1-2-18)5-8-24(33)30-25)17-31-11-13-32(14-12-31)26(34)22-15-28-9-10-29-22/h3-10,15-16,18H,1-2,11-14,17H2
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| InChIKey |
LXLKXWCGENJJBA-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