General Information of the Compound
| Compound ID |
CP0862373
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| Compound Name |
Cyclopentanecarboxylic acid [4-((S)-2-amino-3-phenyl-propylamino)-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-7-yl]-amide
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| Structure |
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| Formula |
C26H28N6OS
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| Molecular Weight |
472.618
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(NC(=O)C3CCCC3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H28N6OS/c27-20(14-17-6-2-1-3-7-17)15-29-25-23-22(31-24(32-25)18-10-12-28-13-11-18)21(16-34-23)30-26(33)19-8-4-5-9-19/h1-3,6-7,10-13,16,19-20H,4-5,8-9,14-15,27H2,(H,30,33)(H,29,31,32)/t20-/m0/s1
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| InChIKey |
KXMSXWRJCKTLFO-FQEVSTJZSA-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