General Information of the Compound
| Compound ID |
CP0017348
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| Compound Name |
(2R)-2-[[6-(cyclopropylmethylamino)-9-propylpurin-2-yl]amino]butan-1-ol
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| Structure |
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| Formula |
C16H26N6O
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| Molecular Weight |
318.425
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| Canonical SMILES |
CCCn1cnc2c(NCC3CC3)nc(N[C@H](CC)CO)nc12
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| InChI |
InChI=1S/C16H26N6O/c1-3-7-22-10-18-13-14(17-8-11-5-6-11)20-16(21-15(13)22)19-12(4-2)9-23/h10-12,23H,3-9H2,1-2H3,(H2,17,19,20,21)/t12-/m1/s1
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| InChIKey |
GSKLSOCAAZJDKH-GFCCVEGCSA-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