General Information of the Compound
| Compound ID |
CP0156161
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| Compound Name |
(3R)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]morpholine-3-carboxamide
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| Structure |
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| Formula |
C25H26ClN5O5S2
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| Molecular Weight |
576.1
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| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(=O)[C@H]4COCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C25H26ClN5O5S2/c1-35-20-7-3-6-19-23(20)24(30-38(33,34)22-9-8-21(26)37-22)29-31(19)14-17-5-2-4-16(12-17)13-28-25(32)18-15-36-11-10-27-18/h2-9,12,18,27H,10-11,13-15H2,1H3,(H,28,32)(H,29,30)/t18-/m1/s1
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| InChIKey |
BRKCAVQLAJCUTK-GOSISDBHSA-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