General Information of the Compound
| Compound ID |
CP0852653
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| Compound Name |
4-[4-((S)-2-Amino-3-phenyl-propylamino)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-2-yl]-pyridin-3-ol
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| Structure |
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| Formula |
C24H25N5OS
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| Molecular Weight |
431.565
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2O)nc2sc3c(c12)CCCC3)Cc1ccccc1
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| InChI |
InChI=1S/C24H25N5OS/c25-16(12-15-6-2-1-3-7-15)13-27-23-21-18-8-4-5-9-20(18)31-24(21)29-22(28-23)17-10-11-26-14-19(17)30/h1-3,6-7,10-11,14,16,30H,4-5,8-9,12-13,25H2,(H,27,28,29)/t16-/m0/s1
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| InChIKey |
PQQFCFLCHNTDHQ-INIZCTEOSA-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