General Information of the Compound
| Compound ID |
CP0301029
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| Compound Name |
Bisanilinopyrimidine, 9a
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| Structure |
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| Formula |
C23H25ClN6O2
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| Molecular Weight |
452.946
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| Canonical SMILES |
Clc1ccccc1Nc1ccnc(Nc2ccc(cc2)C(=O)NCCN2CCOCC2)n1
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| InChI |
InChI=1S/C23H25ClN6O2/c24-19-3-1-2-4-20(19)28-21-9-10-26-23(29-21)27-18-7-5-17(6-8-18)22(31)25-11-12-30-13-15-32-16-14-30/h1-10H,11-16H2,(H,25,31)(H2,26,27,28,29)
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| InChIKey |
DKDRRZIRAAABEN-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