General Information of the Compound
| Compound ID |
CP0900881
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| Compound Name |
(S)-3-Pyridin-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 |
C23H24N6S
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| Molecular Weight |
416.554
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccnc1
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| InChI |
InChI=1S/C23H24N6S/c24-17(12-15-4-3-9-26-13-15)14-27-22-20-18-5-1-2-6-19(18)30-23(20)29-21(28-22)16-7-10-25-11-8-16/h3-4,7-11,13,17H,1-2,5-6,12,14,24H2,(H,27,28,29)/t17-/m0/s1
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| InChIKey |
FWFBQGIMNFVOBO-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