General Information of the Compound
| Compound ID |
CP0904479
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| Compound Name |
(S)-N'1-[7-(4-Fluoro-phenyl)-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 |
C26H22FN5S
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| Molecular Weight |
455.562
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccc(F)cc3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H22FN5S/c27-20-8-6-18(7-9-20)22-16-33-24-23(22)31-25(19-10-12-29-13-11-19)32-26(24)30-15-21(28)14-17-4-2-1-3-5-17/h1-13,16,21H,14-15,28H2,(H,30,31,32)/t21-/m0/s1
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| InChIKey |
UNNPNANHLDJDDU-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