General Information of the Compound
| Compound ID |
CP0574200
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| Compound Name |
(1R,2R)-2-[(4aR,7aR)-2-amino-6-pyrimidin-2-yl-4,4a,5,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a-yl]-N-butylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C18H26N6OS
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| Molecular Weight |
374.514
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| Canonical SMILES |
CCCCNC(=O)[C@@H]1C[C@H]1[C@]12CN(C[C@H]1CSC(N)=N2)c1ncccn1
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| InChI |
InChI=1S/C18H26N6OS/c1-2-3-5-20-15(25)13-8-14(13)18-11-24(17-21-6-4-7-22-17)9-12(18)10-26-16(19)23-18/h4,6-7,12-14H,2-3,5,8-11H2,1H3,(H2,19,23)(H,20,25)/t12-,13+,14+,18-/m0/s1
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| InChIKey |
QJJBLKYNQOSIHJ-LWGWVAHUSA-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