General Information of the Compound
| Compound ID |
CP0498454
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| Compound Name |
1'-[2-(3,4-dichlorophenylcarboxamido)-3-[3,5-di(trifluoromethyl)benzyloxy]-(2S)-propanoyl]-1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]
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| Structure |
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| Formula |
C32H29Cl2F6N3O5S
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| Molecular Weight |
752.561
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)NC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C32H29Cl2F6N3O5S/c1-49(46,47)43-18-30(23-4-2-3-5-27(23)43)8-10-42(11-9-30)29(45)26(41-28(44)20-6-7-24(33)25(34)14-20)17-48-16-19-12-21(31(35,36)37)15-22(13-19)32(38,39)40/h2-7,12-15,26H,8-11,16-18H2,1H3,(H,41,44)/t26-/m0/s1
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| InChIKey |
UACCBGLNPJVHMU-SANMLTNESA-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