General Information of the Compound
| Compound ID |
CP0543736
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| Compound Name |
3-(2,6-dimethylmorpholin-4-yl)propyl-4-[({4-[(2-methylbenzoyl)amino]-1-naphthyl}sulfonyl)amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C33H42N4O6S
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| Molecular Weight |
622.788
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| Canonical SMILES |
CC1CN(CCCOC(=O)N2CCC(CC2)NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)c3ccccc23)CC(C)O1
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| InChI |
InChI=1S/C33H42N4O6S/c1-23-9-4-5-10-27(23)32(38)34-30-13-14-31(29-12-7-6-11-28(29)30)44(40,41)35-26-15-18-37(19-16-26)33(39)42-20-8-17-36-21-24(2)43-25(3)22-36/h4-7,9-14,24-26,35H,8,15-22H2,1-3H3,(H,34,38)
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| InChIKey |
RCSMPRZXADOTLA-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