General Information of the Compound
| Compound ID |
CP0500992
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| Compound Name |
2-N,2-N,6-N,6-N-tetrakis(2-methoxyethyl)-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazine-2,6-diamine
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| Structure |
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| Formula |
C28H48N8O4
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| Molecular Weight |
560.744
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| Canonical SMILES |
COCCN(CCOC)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCOC)CCOC
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| InChI |
InChI=1S/C28H48N8O4/c1-37-19-15-35(16-20-38-2)27-29-23-24(25(31-27)33-11-7-5-8-12-33)30-28(36(17-21-39-3)18-22-40-4)32-26(23)34-13-9-6-10-14-34/h5-22H2,1-4H3
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| InChIKey |
GDAALJDXRYUSDN-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