General Information of the Compound
| Compound ID |
CP0484397
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| Compound Name |
CHEMBL4788140
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| Formula |
C28H35ClN2O2
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| Molecular Weight |
467.053
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| Canonical SMILES |
C[C@H]1CN(CC[C@H]2CC[C@@H](CC2)N2C(=O)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3C2=O)CCc2ccc(Cl)cc12
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| InChI |
InChI=1S/C28H35ClN2O2/c1-17-16-30(13-11-19-6-7-22(29)15-24(17)19)12-10-18-2-8-23(9-3-18)31-27(32)25-20-4-5-21(14-20)26(25)28(31)33/h4-7,15,17-18,20-21,23,25-26H,2-3,8-14,16H2,1H3/t17-,18-,20-,21+,23-,25-,26+/m0/s1
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| InChIKey |
MJWAVTIYFCPJPE-MJGBDJQUSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01206, Histamine H1 receptor