General Information of the Compound
| Compound ID |
CP0384304
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| Compound Name |
(1S,2S)-N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2-phenylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C22H26ClN3O
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| Molecular Weight |
383.923
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C22H26ClN3O/c1-2-25-10-12-26(13-11-25)21-9-8-17(14-20(21)23)24-22(27)19-15-18(19)16-6-4-3-5-7-16/h3-9,14,18-19H,2,10-13,15H2,1H3,(H,24,27)/t18-,19+/m1/s1
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| InChIKey |
IKOHDVPRNAINBB-MOPGFXCFSA-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01470, Muscarinic acetylcholine receptor M2
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4
Protein ID: PT03292, Muscarinic acetylcholine receptor M5