General Information of the Compound
| Compound ID |
CP0495019
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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]acetamide
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| Structure |
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| Formula |
C29H32Cl2N4O2
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| Molecular Weight |
539.507
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| Canonical SMILES |
CC(=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/C29H32Cl2N4O2/c1-19(36)33-28-18-35(12-8-22(28)15-20-4-6-25(30)26(31)16-20)24-9-13-34(14-10-24)29(37)23-5-7-27-21(17-23)3-2-11-32-27/h2-7,11,16-17,22,24,28H,8-10,12-15,18H2,1H3,(H,33,36)/t22-,28-/m1/s1
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| InChIKey |
RGNTWXUHBNURAO-SKCUWOTOSA-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