General Information of the Compound
| Compound ID |
CP0315920
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| Compound Name |
1-N-[(1S,2S)-3-(3,5-difluorophenyl)-1-[(2R)-4-(3,4-dimethoxyphenyl)sulfonylpiperazin-2-yl]-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C36H46F2N4O7S
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| Molecular Weight |
716.848
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| Canonical SMILES |
CCCN(CCC)C(=O)c1cc(C)cc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(CCN1)S(=O)(=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C36H46F2N4O7S/c1-6-11-41(12-7-2)36(45)26-15-23(3)14-25(19-26)35(44)40-30(18-24-16-27(37)20-28(38)17-24)34(43)31-22-42(13-10-39-31)50(46,47)29-8-9-32(48-4)33(21-29)49-5/h8-9,14-17,19-21,30-31,34,39,43H,6-7,10-13,18,22H2,1-5H3,(H,40,44)/t30-,31+,34-/m0/s1
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| InChIKey |
ICKZAOQSKQYZHX-HHMOXRITSA-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