General Information of the Compound
| Compound ID |
CP0276423
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| Compound Name |
(R)-2-Amino-3-(4-chloro-phenyl)-1-[4-(6,6-dioxo-6,7-dihydro-5H-6lambda*6*-thieno[3,4-d]pyrimidin-4-yl)-pi perazin-1-yl]-propan-1-one
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| Structure |
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| Formula |
C19H22ClN5O3S
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| Molecular Weight |
435.937
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| Canonical SMILES |
N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(CC1)c1ncnc2CS(=O)(=O)Cc12
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| InChI |
InChI=1S/C19H22ClN5O3S/c20-14-3-1-13(2-4-14)9-16(21)19(26)25-7-5-24(6-8-25)18-15-10-29(27,28)11-17(15)22-12-23-18/h1-4,12,16H,5-11,21H2/t16-/m1/s1
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| InChIKey |
SGWVDWXKEWMGSE-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