General Information of the Compound
| Compound ID |
CP0496881
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| Compound Name |
N,N-bis[3-(dimethylamino)propyl]-3-[[4-(2,2-diphenylethylamino)-3-(morpholine-4-carbonyl)phenyl]sulfonylamino]propanamide
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| Structure |
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| Formula |
C38H54N6O5S
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| Molecular Weight |
706.954
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| Canonical SMILES |
CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(c1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C38H54N6O5S/c1-41(2)21-11-23-43(24-12-22-42(3)4)37(45)19-20-40-50(47,48)33-17-18-36(34(29-33)38(46)44-25-27-49-28-26-44)39-30-35(31-13-7-5-8-14-31)32-15-9-6-10-16-32/h5-10,13-18,29,35,39-40H,11-12,19-28,30H2,1-4H3
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| InChIKey |
PLNUQKMNKLMFEW-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