General Information of the Compound
| Compound ID |
CP0964062
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| Compound Name |
(S)-N'1-[7-(2,5-Dimethoxy-phenyl)-6-methyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C29H29N5O2S
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| Molecular Weight |
511.651
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| Canonical SMILES |
COc1ccc(OC)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)c1
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| InChI |
InChI=1S/C29H29N5O2S/c1-18-25(23-16-22(35-2)9-10-24(23)36-3)26-27(37-18)29(34-28(33-26)20-11-13-31-14-12-20)32-17-21(30)15-19-7-5-4-6-8-19/h4-14,16,21H,15,17,30H2,1-3H3,(H,32,33,34)/t21-/m0/s1
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| InChIKey |
WPOPOBDJGSNXES-NRFANRHFSA-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