General Information of the Compound
| Compound ID |
CP0666469
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| Compound Name |
(R)-1-(3-(benzo[d]oxazol-2-yl)propyl)-8-(1-(cyclopenta-1,3-dienyl)cycloheptanecarbonyloxy)-1-azoniabicyclo[2.2.2]octane
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| Structure |
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| Formula |
C30H39N2O3+
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| Molecular Weight |
475.653
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| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCc3nc4ccccc4o3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1
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| InChI |
InChI=1S/C30H39N2O3/c33-29(30(24-10-3-4-11-24)17-7-1-2-8-18-30)35-27-22-32(20-15-23(27)16-21-32)19-9-14-28-31-25-12-5-6-13-26(25)34-28/h3-6,10,12-13,23,27H,1-2,7-9,11,14-22H2/q+1/t23?,27-,32?/m0/s1
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| InChIKey |
CWLNEZMBCLXHJX-BRFPSQFKSA-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