General Information of the Compound
| Compound ID |
CP0886180
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| Compound Name |
N-(2-{2-[(1-Cyclohexylmethyl-piperidin-3-ylmethyl)-carbamoyl]-ethylcarbamoyl}-ethyl)-3,3,3-triphenyl-propionamide
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| Structure |
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| Formula |
C40H52N4O3
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| Molecular Weight |
636.881
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| Canonical SMILES |
O=C(CCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NC[C@H]1CCCN(CC2CCCCC2)C1
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| InChI |
InChI=1S/C40H52N4O3/c45-37(41-25-24-38(46)43-29-33-16-13-27-44(31-33)30-32-14-5-1-6-15-32)23-26-42-39(47)28-40(34-17-7-2-8-18-34,35-19-9-3-10-20-35)36-21-11-4-12-22-36/h2-4,7-12,17-22,32-33H,1,5-6,13-16,23-31H2,(H,41,45)(H,42,47)(H,43,46)/t33-/m1/s1
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| InChIKey |
POGDAPYUQHRUOU-MGBGTMOVSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5