General Information of the Compound
| Compound ID |
CP0951938
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| Compound Name |
(S)-N'1-[7-(5-Cyclopropyl-1H-pyrazol-3-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 |
C26H25N7S
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| Molecular Weight |
467.602
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| Canonical SMILES |
N[C@H](CNc1nc(-c2ccncc2)nc2c(-c3cc(C4CC4)[nH]n3)csc12)Cc1ccccc1
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| InChI |
InChI=1S/C26H25N7S/c27-19(12-16-4-2-1-3-5-16)14-29-26-24-23(30-25(31-26)18-8-10-28-11-9-18)20(15-34-24)22-13-21(32-33-22)17-6-7-17/h1-5,8-11,13,15,17,19H,6-7,12,14,27H2,(H,32,33)(H,29,30,31)/t19-/m0/s1
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| InChIKey |
DVLDLOXMHXIZFK-IBGZPJMESA-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