General Information of the Compound
| Compound ID |
CP0967298
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| Compound Name |
Cyclohexanecarboxylic 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 |
C27H30N6OS
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| Molecular Weight |
486.645
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(NC(=O)C3CCCCC3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C27H30N6OS/c28-21(15-18-7-3-1-4-8-18)16-30-26-24-23(32-25(33-26)19-11-13-29-14-12-19)22(17-35-24)31-27(34)20-9-5-2-6-10-20/h1,3-4,7-8,11-14,17,20-21H,2,5-6,9-10,15-16,28H2,(H,31,34)(H,30,32,33)/t21-/m0/s1
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| InChIKey |
RBUWZWIEGJOGFS-NRFANRHFSA-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