General Information of the Compound
| Compound ID |
CP0954705
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| Compound Name |
(S)-3-Benzo[b]thiophen-3-yl-N'1-(2-pyridin-4-yl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-propane-1,2-diamine
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| Structure |
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| Formula |
C26H25N5S2
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| Molecular Weight |
471.655
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1csc2ccccc12
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| InChI |
InChI=1S/C26H25N5S2/c27-18(13-17-15-32-21-7-3-1-5-19(17)21)14-29-25-23-20-6-2-4-8-22(20)33-26(23)31-24(30-25)16-9-11-28-12-10-16/h1,3,5,7,9-12,15,18H,2,4,6,8,13-14,27H2,(H,29,30,31)/t18-/m0/s1
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| InChIKey |
JEILWESDRSCDBK-SFHVURJKSA-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