General Information of the Compound
| Compound ID |
CP0295148
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| Compound Name |
4-Anilinopyrido[3,4-d]pyrimidine 22
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| Structure |
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| Formula |
C23H25BrN6O2
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| Molecular Weight |
497.397
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3cnc(cc23)N(CCCN2CCOCC2)C(=O)C=C)c1
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| InChI |
InChI=1S/C23H25BrN6O2/c1-2-22(31)30(8-4-7-29-9-11-32-12-10-29)21-14-19-20(15-25-21)26-16-27-23(19)28-18-6-3-5-17(24)13-18/h2-3,5-6,13-16H,1,4,7-12H2,(H,26,27,28)
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| InChIKey |
OCBRGIXVRJXGMM-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