General Information of the Compound
| Compound ID |
CP0935479
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| Compound Name |
(R)-3-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-(2-oxo-2-(3-(picolinamido)propylamino)ethyl)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C31H43N4O4+
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| Molecular Weight |
535.709
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| Canonical SMILES |
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C1(C3=CC=CC3)CCCCCC1)C2)NCCCNC(=O)c1ccccn1
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| InChI |
InChI=1S/C31H42N4O4/c36-28(33-18-9-19-34-29(37)26-12-5-8-17-32-26)23-35-20-13-24(14-21-35)27(22-35)39-30(38)31(25-10-3-4-11-25)15-6-1-2-7-16-31/h3-5,8,10,12,17,24,27H,1-2,6-7,9,11,13-16,18-23H2,(H-,33,34,36,37)/p+1/t24?,27-,35?/m0/s1
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| InChIKey |
QVHVJRDRMAPDLZ-XNEHPLGMSA-O
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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