General Information of the Compound
| Compound ID |
CP0538269
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| Compound Name |
2-benzylamino-3-(2-chlorobenzyloxy)-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 |
C30H34ClN3O4S
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| Molecular Weight |
568.139
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(CC2)C(=O)[C@H](COCc2ccccc2Cl)NCc2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C30H34ClN3O4S/c1-39(36,37)34-22-30(25-12-6-8-14-28(25)34)15-17-33(18-16-30)29(35)27(32-19-23-9-3-2-4-10-23)21-38-20-24-11-5-7-13-26(24)31/h2-14,27,32H,15-22H2,1H3/t27-/m0/s1
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| InChIKey |
GOEKTEPHELFSRR-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