General Information of the Compound
| Compound ID |
CP0440319
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| Compound Name |
3-[3-Chloro-4-(2,2-diphenyl-ethylamino)-benzenesulfonylamino]-N,N-bis-(3-dimethylamino-propyl)-propionamide
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| Structure |
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| Formula |
C33H46ClN5O3S
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| Molecular Weight |
628.283
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| Canonical SMILES |
CN(C)CCCN(CCCN(C)C)C(=O)CCNS(=O)(=O)c1ccc(NCC(c2ccccc2)c2ccccc2)c(Cl)c1
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| InChI |
InChI=1S/C33H46ClN5O3S/c1-37(2)21-11-23-39(24-12-22-38(3)4)33(40)19-20-36-43(41,42)29-17-18-32(31(34)25-29)35-26-30(27-13-7-5-8-14-27)28-15-9-6-10-16-28/h5-10,13-18,25,30,35-36H,11-12,19-24,26H2,1-4H3
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| InChIKey |
NQDHQVMQBNKXIE-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