General Information of the Compound
| Compound ID |
CP0431946
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| Compound Name |
2,4-diaminopyrimidine-based antagonist, 13f
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| Structure |
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| Formula |
C25H29N5O2
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| Molecular Weight |
431.54
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| Canonical SMILES |
CN(C(=O)C1CCCC1)c1ccc(cc1)-c1c(N)nc(N)nc1COCc1ccccc1
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| InChI |
InChI=1S/C25H29N5O2/c1-30(24(31)19-9-5-6-10-19)20-13-11-18(12-14-20)22-21(28-25(27)29-23(22)26)16-32-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19H,5-6,9-10,15-16H2,1H3,(H4,26,27,28,29)
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| InChIKey |
VRFGCTMNTASNRG-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