General Information of the Compound
| Compound ID |
CP0017012
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| Compound Name |
N-[5-[7-chloro-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-1,3-thiazol-2-yl]acetamide
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| Structure |
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| Formula |
C18H18ClN3O2S
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| Molecular Weight |
375.881
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(Cl)c2C1=O)-c1cnc(NC(C)=O)s1
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| InChI |
InChI=1S/C18H18ClN3O2S/c1-9(11-3-4-11)22-8-13-5-12(6-14(19)16(13)17(22)24)15-7-20-18(25-15)21-10(2)23/h5-7,9,11H,3-4,8H2,1-2H3,(H,20,21,23)/t9-/m0/s1
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| InChIKey |
QLABPIVJEQYEBQ-VIFPVBQESA-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