General Information of the Compound
| Compound ID |
CP0967918
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| Compound Name |
4-[(S)-2-Amino-3-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylamino)-propyl]-phenol
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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(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1ccc(O)cc1
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| InChI |
InChI=1S/C24H25N5OS/c25-17(13-15-5-7-18(30)8-6-15)14-27-23-21-19-3-1-2-4-20(19)31-24(21)29-22(28-23)16-9-11-26-12-10-16/h5-12,17,30H,1-4,13-14,25H2,(H,27,28,29)/t17-/m0/s1
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| InChIKey |
WBBPTXCGILPVAB-KRWDZBQOSA-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