General Information of the Compound
| Compound ID |
CP0960128
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| Compound Name |
N(S)-N'1-(9-Chloro-2-pyridin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidin-4-yl)-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C24H20ClN5S
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| Molecular Weight |
445.979
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c1sc1cccc(Cl)c12)Cc1ccccc1
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| InChI |
InChI=1S/C24H20ClN5S/c25-18-7-4-8-19-20(18)21-22(31-19)24(30-23(29-21)16-9-11-27-12-10-16)28-14-17(26)13-15-5-2-1-3-6-15/h1-12,17H,13-14,26H2,(H,28,29,30)/t17-/m0/s1
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| InChIKey |
FORCACATDYGXGS-KRWDZBQOSA-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