General Information of the Compound
| Compound ID |
CP0383966
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| Compound Name |
(2S)-2-acetamido-N-[(2S)-1-oxo-1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butylamino]propan-2-yl]propanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C34H43F3N6O7
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| Molecular Weight |
704.747
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| Canonical SMILES |
OC(=O)C(F)(F)F.C[C@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C32H42N6O5.C2HF3O2/c1-21(35-31(42)22(2)34-23(3)39)30(41)33-17-9-8-10-24-15-18-37(19-16-24)20-29(40)38-27-13-6-4-11-25(27)32(43)36-26-12-5-7-14-28(26)38;3-2(4,5)1(6)7/h4-7,11-14,21-22,24H,8-10,15-20H2,1-3H3,(H,33,41)(H,34,39)(H,35,42)(H,36,43);(H,6,7)/t21-,22-;/m0./s1
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| InChIKey |
GWVDWTAHBGFKKT-VROPFNGYSA-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