General Information of the Compound
| Compound ID |
CP0951767
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| Compound Name |
(S)-N'1-[7-(2-Chloro-phenyl)-2-pyridin-4-yl-6-trifluoromethyl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C27H21ClF3N5S
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| Molecular Weight |
540.014
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3ccccc3Cl)c(C(F)(F)F)sc12)Cc1ccccc1
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| InChI |
InChI=1S/C27H21ClF3N5S/c28-20-9-5-4-8-19(20)21-22-23(37-24(21)27(29,30)31)26(36-25(35-22)17-10-12-33-13-11-17)34-15-18(32)14-16-6-2-1-3-7-16/h1-13,18H,14-15,32H2,(H,34,35,36)/t18-/m0/s1
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| InChIKey |
JJUDINBKYZSNDH-SFHVURJKSA-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