General Information of the Compound
| Compound ID |
CP0459133
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| Compound Name |
(2S)-N-benzyl-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]-3-phenylpropanamide
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| Structure |
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| Formula |
C34H46N4O4S
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| Molecular Weight |
606.833
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCN1CCN(C)CC1)Cc1ccccc1
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| InChI |
InChI=1S/C34H46N4O4S/c1-26-23-32(42-5)27(2)28(3)33(26)43(40,41)35-31(24-29-13-8-6-9-14-29)34(39)38(25-30-15-10-7-11-16-30)18-12-17-37-21-19-36(4)20-22-37/h6-11,13-16,23,31,35H,12,17-22,24-25H2,1-5H3/t31-/m0/s1
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| InChIKey |
HCNMECLUINAZJI-HKBQPEDESA-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