General Information of the Compound
| Compound ID |
CP0465005
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| Compound Name |
2-[{6-[Bis-(2-hydroxy-ethyl)-amino]-4,8-di-piperidin-1-yl-1,4-dihydro-pyrimido[5,4-d]pyrimidin-2-yl}-(2-hydroxy-ethyl)-amino]-ethanol
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| Structure |
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| Formula |
C24H42N8O4
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| Molecular Weight |
506.652
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| Canonical SMILES |
OCCN(CCO)C1=NC(N2CCCCC2)c2nc(nc(N3CCCCC3)c2N1)N(CCO)CCO
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| InChI |
InChI=1S/C24H42N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h21,33-36H,1-18H2,(H,26,27)
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| InChIKey |
ZIVMHEUYSBBIDY-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