General Information of the Compound
| Compound ID |
CP0436444
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| Compound Name |
(2S)-3-(4-chlorophenyl)-2-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
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| Structure |
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| Formula |
C27H39ClN4O4S
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| Molecular Weight |
551.153
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| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NCCCN1CCN(C)CC1
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| InChI |
InChI=1S/C27H39ClN4O4S/c1-19-17-25(36-5)20(2)21(3)26(19)37(34,35)30-24(18-22-7-9-23(28)10-8-22)27(33)29-11-6-12-32-15-13-31(4)14-16-32/h7-10,17,24,30H,6,11-16,18H2,1-5H3,(H,29,33)/t24-/m0/s1
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| InChIKey |
UJNSLNJBUGNTIQ-DEOSSOPVSA-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