General Information of the Compound
| Compound ID |
CP0430878
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| Compound Name |
N-[[(3R,4S)-4-[(3,4-dichlorophenyl)methyl]-1-[1-(quinoline-6-carbonyl)piperidin-4-yl]piperidin-3-yl]methyl]acetamide
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| Structure |
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| Formula |
C30H34Cl2N4O2
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| Molecular Weight |
553.534
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| Canonical SMILES |
CC(=O)NC[C@@H]1CN(CC[C@@H]1Cc1ccc(Cl)c(Cl)c1)C1CCN(CC1)C(=O)c1ccc2ncccc2c1
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| InChI |
InChI=1S/C30H34Cl2N4O2/c1-20(37)34-18-25-19-36(12-8-22(25)15-21-4-6-27(31)28(32)16-21)26-9-13-35(14-10-26)30(38)24-5-7-29-23(17-24)3-2-11-33-29/h2-7,11,16-17,22,25-26H,8-10,12-15,18-19H2,1H3,(H,34,37)/t22-,25-/m1/s1
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| InChIKey |
YXKQDJSENLLDCP-RCZVLFRGSA-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