General Information of the Compound
| Compound ID |
CP0555167
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| Compound Name |
(S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-methyl-N-(3-(4-methylpiperazin-1-yl)propyl)-3-phenylpropanamide
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| Structure |
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| Formula |
C28H42N4O4S
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| Molecular Weight |
530.735
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)CCCN1CCN(C)CC1
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| InChI |
InChI=1S/C28H42N4O4S/c1-21-19-26(36-6)22(2)23(3)27(21)37(34,35)29-25(20-24-11-8-7-9-12-24)28(33)31(5)13-10-14-32-17-15-30(4)16-18-32/h7-9,11-12,19,25,29H,10,13-18,20H2,1-6H3/t25-/m0/s1
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| InChIKey |
MGMISNXERNNMPS-VWLOTQADSA-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