General Information of the Compound
| Compound ID |
CP0404149
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| Compound Name |
(2R)-3-[[6-(4-bromoanilino)-9-cyclopentylpurin-2-yl]amino]-2-methylpropan-1-ol
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| Structure |
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| Formula |
C20H25BrN6O
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| Molecular Weight |
445.365
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| Canonical SMILES |
C[C@@H](CO)CNc1nc(Nc2ccc(Br)cc2)c2ncn(C3CCCC3)c2n1
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| InChI |
InChI=1S/C20H25BrN6O/c1-13(11-28)10-22-20-25-18(24-15-8-6-14(21)7-9-15)17-19(26-20)27(12-23-17)16-4-2-3-5-16/h6-9,12-13,16,28H,2-5,10-11H2,1H3,(H2,22,24,25,26)/t13-/m1/s1
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| InChIKey |
ITDDWAGLELJREK-CYBMUJFWSA-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