General Information of the Compound
| Compound ID |
CP0441819
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| Compound Name |
2-(3,4-dichlorobenzylamino)-3-(3,4-dichlorobenzyloxy)-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-(2S)-propan-1-one
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| Structure |
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| Formula |
C30H31Cl4N3O4S
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| Molecular Weight |
671.474
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccc(Cl)c(Cl)c2)NCc2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C30H31Cl4N3O4S/c1-42(39,40)37-19-30(22-4-2-3-5-28(22)37)10-12-36(13-11-30)29(38)27(35-16-20-6-8-23(31)25(33)14-20)18-41-17-21-7-9-24(32)26(34)15-21/h2-9,14-15,27,35H,10-13,16-19H2,1H3/t27-/m0/s1
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| InChIKey |
AIYKBTXDRPARHM-MHZLTWQESA-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