General Information of the Compound
| Compound ID |
CP0278336
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| Compound Name |
(2S)-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]piperidine-2-carboxamide
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| Structure |
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| Formula |
C26H28ClN5O4S2
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| Molecular Weight |
574.128
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| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(=O)[C@@H]4CCCCN4)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C26H28ClN5O4S2/c1-36-21-10-5-9-20-24(21)25(31-38(34,35)23-12-11-22(27)37-23)30-32(20)16-18-7-4-6-17(14-18)15-29-26(33)19-8-2-3-13-28-19/h4-7,9-12,14,19,28H,2-3,8,13,15-16H2,1H3,(H,29,33)(H,30,31)/t19-/m0/s1
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| InChIKey |
BKWSVOITUDUHBY-IBGZPJMESA-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