General Information of the Compound
| Compound ID |
CP0449055
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(cyclopentylamino)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
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| Structure |
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| Formula |
C24H40N8O4
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| Molecular Weight |
504.636
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| Canonical SMILES |
OCCN(CCO)c1nc(NC2CCCC2)c2nc(nc(NC3CCCC3)c2n1)N(CCO)CCO
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| InChI |
InChI=1S/C24H40N8O4/c33-13-9-31(10-14-34)23-28-20-19(21(29-23)25-17-5-1-2-6-17)27-24(32(11-15-35)12-16-36)30-22(20)26-18-7-3-4-8-18/h17-18,33-36H,1-16H2,(H,25,28,29)(H,26,27,30)
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| InChIKey |
GZMJMHZPJXZCBZ-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