General Information of the Compound
| Compound ID |
CP0579571
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| Compound Name |
2-[[(1R)-1-[4-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]ethyl]-(cyclopropylmethyl)amino]-N-cyclopropylsulfonyl-5-methyl-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C28H28ClN5O5S2
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| Molecular Weight |
614.149
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| Canonical SMILES |
C[C@@H](N(CC1CC1)c1nc(C(=O)NS(=O)(=O)C2CC2)c(C)s1)c1ccc(cc1)-c1cc(Cl)ccc1-c1nc(=O)o[nH]1
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| InChI |
InChI=1S/C28H28ClN5O5S2/c1-15(18-5-7-19(8-6-18)23-13-20(29)9-12-22(23)25-31-28(36)39-32-25)34(14-17-3-4-17)27-30-24(16(2)40-27)26(35)33-41(37,38)21-10-11-21/h5-9,12-13,15,17,21H,3-4,10-11,14H2,1-2H3,(H,33,35)(H,31,32,36)/t15-/m1/s1
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| InChIKey |
WJYGXBUCRKUVSG-OAHLLOKOSA-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