General Information of the Compound
| Compound ID |
CP0506570
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| Compound Name |
2-benzylamino-3-[3,4-dichlorobenzyl(methyl)amino]-1-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-1-propanone
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| Structure |
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| Formula |
C31H36Cl2N4O3S
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| Molecular Weight |
615.627
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| Canonical SMILES |
CN(CC(NCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C31H36Cl2N4O3S/c1-35(20-24-12-13-26(32)27(33)18-24)21-28(34-19-23-8-4-3-5-9-23)30(38)36-16-14-31(15-17-36)22-37(41(2,39)40)29-11-7-6-10-25(29)31/h3-13,18,28,34H,14-17,19-22H2,1-2H3
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| InChIKey |
JUCCJJMYIFPLSB-UHFFFAOYSA-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