General Information of the Compound
| Compound ID |
CP0471983
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| Compound Name |
US10759794, Example 196
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| Structure |
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| Formula |
C27H26ClN5O
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| Molecular Weight |
471.992
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| Canonical SMILES |
Clc1ccc(cc1)-c1nc2ccc(cn2c1CN1CCN(CC1)C(=O)c1ccncc1)C1CC1
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| InChI |
InChI=1S/C27H26ClN5O/c28-23-6-3-20(4-7-23)26-24(33-17-22(19-1-2-19)5-8-25(33)30-26)18-31-13-15-32(16-14-31)27(34)21-9-11-29-12-10-21/h3-12,17,19H,1-2,13-16,18H2
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| InChIKey |
KGAHOKNCHNYPRV-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