General Information of the Compound
| Compound ID |
CP0496295
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| Compound Name |
2-[5-[2-[(1S,4S)-5-(2-chloro-5-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,3-thiazol-5-yl]tetrazol-2-yl]acetic acid
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| Structure |
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| Formula |
C17H15ClFN7O2S
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| Molecular Weight |
435.872
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| Canonical SMILES |
OC(=O)Cn1nnc(n1)-c1cnc(s1)N1C[C@@H]2C[C@H]1CN2c1cc(F)ccc1Cl
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| InChI |
InChI=1S/C17H15ClFN7O2S/c18-12-2-1-9(19)3-13(12)24-6-11-4-10(24)7-25(11)17-20-5-14(29-17)16-21-23-26(22-16)8-15(27)28/h1-3,5,10-11H,4,6-8H2,(H,27,28)/t10-,11-/m0/s1
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| InChIKey |
HEZALYJTWXTLDU-QWRGUYRKSA-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