General Information of the Compound
| Compound ID |
CP0904487
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| Compound Name |
(S)-N'1-[6-tert-Butyl-7-(5-methyl-thiophen-2-yl)-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 |
C29H31N5S2
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| Molecular Weight |
513.736
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| Canonical SMILES |
Cc1ccc(-c2c(C(C)(C)C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)s1
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| InChI |
InChI=1S/C29H31N5S2/c1-18-10-11-22(35-18)23-24-25(36-26(23)29(2,3)4)28(34-27(33-24)20-12-14-31-15-13-20)32-17-21(30)16-19-8-6-5-7-9-19/h5-15,21H,16-17,30H2,1-4H3,(H,32,33,34)/t21-/m0/s1
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| InChIKey |
RCVPMEIPVMTONO-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