General Information of the Compound
| Compound ID |
CP0449068
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| Compound Name |
2-({6-[(2-hydroxyethyl)[2-(propan-2-yloxy)ethyl]amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}[2-(propan-2-yloxy)ethyl]amino)ethan-1-ol
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| Structure |
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| Formula |
C30H52N8O4
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| Molecular Weight |
588.798
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| Canonical SMILES |
CC(C)OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCOC(C)C
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| InChI |
InChI=1S/C30H52N8O4/c1-23(2)41-21-17-37(15-19-39)29-31-25-26(27(33-29)35-11-7-5-8-12-35)32-30(34-28(25)36-13-9-6-10-14-36)38(16-20-40)18-22-42-24(3)4/h23-24,39-40H,5-22H2,1-4H3
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| InChIKey |
NBWNWNNXKXAZHY-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