General Information of the Compound
| Compound ID |
CP0308349
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| Compound Name |
(4S)-4-[5-[(cyclopropylmethylamino)methyl]-2,4-difluorophenyl]-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
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| Structure |
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| Formula |
C16H21F2N3S
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| Molecular Weight |
325.428
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| Canonical SMILES |
C[C@]1(CCSC(N)=N1)c1cc(CNCC2CC2)c(F)cc1F
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| InChI |
InChI=1S/C16H21F2N3S/c1-16(4-5-22-15(19)21-16)12-6-11(13(17)7-14(12)18)9-20-8-10-2-3-10/h6-7,10,20H,2-5,8-9H2,1H3,(H2,19,21)/t16-/m0/s1
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| InChIKey |
YWBPXKGASACQGY-INIZCTEOSA-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