General Information of the Compound
| Compound ID |
CP0480350
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| Compound Name |
1,1-Bis-(4-dimethylamino-phenyl)-3-[4-(4-methanesulfonyl-benzyl)-[1,4]diazepan-1-yl]-propan-1-ol
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| Structure |
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| Formula |
C32H44N4O3S
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| Molecular Weight |
564.796
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| Canonical SMILES |
CN(C)c1ccc(cc1)C(O)(CCN1CCCN(Cc2ccc(cc2)S(C)(=O)=O)CC1)c1ccc(cc1)N(C)C
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| InChI |
InChI=1S/C32H44N4O3S/c1-33(2)29-13-9-27(10-14-29)32(37,28-11-15-30(16-12-28)34(3)4)19-22-35-20-6-21-36(24-23-35)25-26-7-17-31(18-8-26)40(5,38)39/h7-18,37H,6,19-25H2,1-5H3
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| InChIKey |
GSKSGCMDDSFQPT-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