General Information of the Compound
| Compound ID |
CP0454229
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| Compound Name |
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(butylamino)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 |
C22H40N8O4
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| Molecular Weight |
480.614
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| Canonical SMILES |
CCCCNc1nc(nc2c(NCCCC)nc(nc12)N(CCO)CCO)N(CCO)CCO
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| InChI |
InChI=1S/C22H40N8O4/c1-3-5-7-23-19-17-18(26-21(27-19)29(9-13-31)10-14-32)20(24-8-6-4-2)28-22(25-17)30(11-15-33)12-16-34/h31-34H,3-16H2,1-2H3,(H,23,26,27)(H,24,25,28)
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| InChIKey |
JULBPHOIANSTAP-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