General Information of the Compound
| Compound ID |
CP0904465
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| Compound Name |
(S)-3-(2-Methoxy-phenyl)-N'1-(2-pyridin-4-yl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C24H25N5OS2
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| Molecular Weight |
463.632
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| Canonical SMILES |
COc1ccccc1C[C@H](N)CNc1nc(-c2ccncc2)nc2sc3c(c12)CCSC3
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| InChI |
InChI=1S/C24H25N5OS2/c1-30-19-5-3-2-4-16(19)12-17(25)13-27-23-21-18-8-11-31-14-20(18)32-24(21)29-22(28-23)15-6-9-26-10-7-15/h2-7,9-10,17H,8,11-14,25H2,1H3,(H,27,28,29)/t17-/m0/s1
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| InChIKey |
FTUXNXHGVCQSEQ-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