General Information of the Compound
| Compound ID |
CP0540236
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| Compound Name |
[1-(cyclopropylmethoxy)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl]urea
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| Structure |
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| Formula |
C23H27N3O3
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| Molecular Weight |
393.487
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| Canonical SMILES |
COc1cc2CCN(C)C3Cc4ccc(NC(N)=O)cc4-c(c1OCC1CC1)c23
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| InChI |
InChI=1S/C23H27N3O3/c1-26-8-7-15-10-19(28-2)22(29-12-13-3-4-13)21-17-11-16(25-23(24)27)6-5-14(17)9-18(26)20(15)21/h5-6,10-11,13,18H,3-4,7-9,12H2,1-2H3,(H3,24,25,27)
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| InChIKey |
XFDCUFWOZUFWCX-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01354, 5-hydroxytryptamine receptor 6
Protein ID: PT00941, 5-hydroxytryptamine receptor 7