General Information of the Compound
| Compound ID |
CP0935571
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| Compound Name |
(S)-1-(1H-Imidazol-4-ylmethyl)-2-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yloxy)-ethylamine
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| Structure |
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| Formula |
C21H22N6OS
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| Molecular Weight |
406.515
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| Canonical SMILES |
N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1c[nH]cn1
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| InChI |
InChI=1S/C21H22N6OS/c22-14(9-15-10-24-12-25-15)11-28-20-18-16-3-1-2-4-17(16)29-21(18)27-19(26-20)13-5-7-23-8-6-13/h5-8,10,12,14H,1-4,9,11,22H2,(H,24,25)/t14-/m0/s1
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| InChIKey |
FHZGVCNKVQPERP-AWEZNQCLSA-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