General Information of the Compound
| Compound ID |
CP0077036
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| Compound Name |
2-amino-N-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-methoxyindazol-1-yl]methyl]phenyl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C24H26ClN5O4S2
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| Molecular Weight |
548.09
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| Canonical SMILES |
COc1cccc2n(Cc3cccc(CNC(=O)C(C)(C)N)c3)nc(NS(=O)(=O)c3ccc(Cl)s3)c12
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| InChI |
InChI=1S/C24H26ClN5O4S2/c1-24(2,26)23(31)27-13-15-6-4-7-16(12-15)14-30-17-8-5-9-18(34-3)21(17)22(28-30)29-36(32,33)20-11-10-19(25)35-20/h4-12H,13-14,26H2,1-3H3,(H,27,31)(H,28,29)
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| InChIKey |
SIBHOWSWIFTOMQ-UHFFFAOYSA-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