General Information of the Compound
| Compound ID |
CP0282150
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| Compound Name |
1-N-[2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]piperidin-1-yl]ethyl]-3-N-[2-[4-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]piperazin-1-yl]ethyl]-5-[(propanoylamino)methyl]benzene-1,3-dicarboxamide
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| Structure |
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| Formula |
C61H80N12O6
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| Molecular Weight |
1077.389
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| Canonical SMILES |
CCC(=O)NCc1cc(cc(c1)C(=O)NCCN1CCN(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)CC1)C(=O)NCCN1CCC(CC1)N1CCC(CC1)n1c2ccccc2[nH]c1=O
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| InChI |
InChI=1S/C61H80N12O6/c1-2-56(74)64-42-45-39-46(58(76)62-24-33-68-29-20-48(21-30-68)71-31-22-49(23-32-71)72-54-16-7-5-14-52(54)66-61(72)79)41-47(40-45)59(77)63-25-34-69-37-35-67(36-38-69)26-10-9-11-44-18-27-70(28-19-44)43-57(75)73-53-15-6-3-12-50(53)60(78)65-51-13-4-8-17-55(51)73/h3-8,12-17,39-41,44,48-49H,2,9-11,18-38,42-43H2,1H3,(H,62,76)(H,63,77)(H,64,74)(H,65,78)(H,66,79)
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| InChIKey |
QRUXDRCXIGZTGT-UHFFFAOYSA-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