General Information of the Compound
| Compound ID |
CP0464600
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| Compound Name |
2N-benzyl-1-(3,4-dichlorobenzyloxy)-3-[1-methylsulfonylspiro[2,3-dihydro-1H-indole-3,4'-(hexahydropyridine)]-1-yl]-(2R)-propan-2-amine
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| Structure |
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| Formula |
C30H35Cl2N3O3S
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| Molecular Weight |
588.601
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| Canonical SMILES |
CS(=O)(=O)N1CC2(CCN(C[C@H](COCc3ccc(Cl)c(Cl)c3)NCc3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C30H35Cl2N3O3S/c1-39(36,37)35-22-30(26-9-5-6-10-29(26)35)13-15-34(16-14-30)19-25(33-18-23-7-3-2-4-8-23)21-38-20-24-11-12-27(31)28(32)17-24/h2-12,17,25,33H,13-16,18-22H2,1H3/t25-/m1/s1
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| InChIKey |
ICAIEGHMXOMWIC-RUZDIDTESA-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