General Information of the Compound
| Compound ID |
CP0538800
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| Compound Name |
2-amino-8-[2-[(3R)-4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethyl]-4-(5-methylfuran-2-yl)pteridin-7-one
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| Structure |
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| Formula |
C25H29N7O3
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| Molecular Weight |
475.553
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| Canonical SMILES |
COc1ccc(cc1)N1CCN(CCn2c3nc(N)nc(-c4ccc(C)o4)c3ncc2=O)C[C@H]1C
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| InChI |
InChI=1S/C25H29N7O3/c1-16-15-30(10-12-31(16)18-5-7-19(34-3)8-6-18)11-13-32-21(33)14-27-23-22(20-9-4-17(2)35-20)28-25(26)29-24(23)32/h4-9,14,16H,10-13,15H2,1-3H3,(H2,26,28,29)/t16-/m1/s1
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| InChIKey |
HXTGWBZLGKWDCL-MRXNPFEDSA-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