General Information of the Compound
| Compound ID |
CP0124221
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| Compound Name |
(2S)-1-N-[7-(cyclopropylmethyl)-4,5-dihydro-[1,3]thiazolo[5,4-e][1,3]benzothiazol-2-yl]pyrrolidine-1,2-dicarboxamide
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| Structure |
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| Formula |
C18H21N5O2S2
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| Molecular Weight |
403.533
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| Canonical SMILES |
NC(=O)[C@@H]1CCCN1C(=O)Nc1nc2CCc3sc(CC4CC4)nc3-c2s1
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| InChI |
InChI=1S/C18H21N5O2S2/c19-16(24)11-2-1-7-23(11)18(25)22-17-20-10-5-6-12-14(15(10)27-17)21-13(26-12)8-9-3-4-9/h9,11H,1-8H2,(H2,19,24)(H,20,22,25)/t11-/m0/s1
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| InChIKey |
LJLSVPOGVRGWSF-NSHDSACASA-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
Protein ID: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Protein ID: PT01029, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform