General Information of the Compound
| Compound ID |
CP0904856
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| Compound Name |
N-(1-(4-Ethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]thiazine-2-carbonyl)piperidin-4-yl)-6-phenylhexanamide
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| Structure |
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| Formula |
C28H35N3O3S
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| Molecular Weight |
493.673
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| Canonical SMILES |
CCN1C(=O)C(C(=O)N2CCC(NC(=O)CCCCCc3ccccc3)CC2)Sc2ccccc21
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| InChI |
InChI=1S/C28H35N3O3S/c1-2-31-23-14-9-10-15-24(23)35-26(28(31)34)27(33)30-19-17-22(18-20-30)29-25(32)16-8-4-7-13-21-11-5-3-6-12-21/h3,5-6,9-12,14-15,22,26H,2,4,7-8,13,16-20H2,1H3,(H,29,32)
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| InChIKey |
JVVRPCFPHPDMRU-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