General Information of the Compound
| Compound ID |
CP0419116
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| Compound Name |
N-[(1S)-1-phenyl-3-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C28H35N5O
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| Molecular Weight |
457.622
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| Canonical SMILES |
CC(C[C@H](NC(=O)C1CCC1)c1ccccc1)N1CCC(CC1)c1[nH]ncc1-c1ccncc1
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| InChI |
InChI=1S/C28H35N5O/c1-20(18-26(22-6-3-2-4-7-22)31-28(34)24-8-5-9-24)33-16-12-23(13-17-33)27-25(19-30-32-27)21-10-14-29-15-11-21/h2-4,6-7,10-11,14-15,19-20,23-24,26H,5,8-9,12-13,16-18H2,1H3,(H,30,32)(H,31,34)/t20?,26-/m0/s1
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| InChIKey |
XFUXIQVTGGYUOZ-GHZUAHJPSA-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
Protein ID: PT00903, C-C chemokine receptor type 5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2