General Information of the Compound
| Compound ID |
CP0430874
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| Compound Name |
N-[(3S,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C28H32Cl2N4O3S
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| Molecular Weight |
575.562
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| Canonical SMILES |
CS(=O)(=O)N[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C28H32Cl2N4O3S/c1-38(36,37)32-27-18-34(12-8-21(27)15-19-4-6-24(29)25(30)16-19)23-9-13-33(14-10-23)28(35)22-5-7-26-20(17-22)3-2-11-31-26/h2-7,11,16-17,21,23,27,32H,8-10,12-15,18H2,1H3/t21-,27-/m1/s1
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| InChIKey |
VUAYHTLJMIUMTI-JIPXPUAJSA-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