General Information of the Compound
| Compound ID |
CP0004361
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| Compound Name |
Laudanosine
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| Structure |
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| Formula |
C21H27NO4
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| Molecular Weight |
357.45
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| Canonical SMILES |
COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC
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| InChI |
InChI=1S/C21H27NO4/c1-22-9-8-15-12-20(25-4)21(26-5)13-16(15)17(22)10-14-6-7-18(23-2)19(11-14)24-3/h6-7,11-13,17H,8-10H2,1-5H3
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| InChIKey |
KGPAYJZAMGEDIQ-UHFFFAOYSA-N
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| CAS |
1699-51-0
20412-65-1
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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