General Information of the Compound
| Compound ID |
CP0852656
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| Compound Name |
(S)-N'1-[7-(2,4-Dimethyl-thiazol-5-yl)-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 |
C26H26N6S2
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| Molecular Weight |
486.67
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| Canonical SMILES |
Cc1nc(C)c(-c2c(C)sc3c(NC[C@@H](N)Cc4ccccc4)nc(-c4ccncc4)nc23)s1
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| InChI |
InChI=1S/C26H26N6S2/c1-15-23(34-17(3)30-15)21-16(2)33-24-22(21)31-25(19-9-11-28-12-10-19)32-26(24)29-14-20(27)13-18-7-5-4-6-8-18/h4-12,20H,13-14,27H2,1-3H3,(H,29,31,32)/t20-/m0/s1
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| InChIKey |
XRMHWAADLMXPBS-FQEVSTJZSA-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