General Information of the Compound
| Compound ID |
CP0434739
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| Compound Name |
CHEMBL3265067
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| Formula |
C29H33ClN2O2
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| Molecular Weight |
477.048
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| Canonical SMILES |
CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1
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| InChI |
InChI=1S/C29H33ClN2O2/c1-2-14-32(27-17-26(27)21-9-11-24(30)12-10-21)15-13-29(34)18-25(19-29)31-28(33)23-8-7-20-5-3-4-6-22(20)16-23/h3-12,16,25-27,34H,2,13-15,17-19H2,1H3,(H,31,33)/t25-,26-,27+,29+/m0/s1
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| InChIKey |
KIRKSXHWZHQUBF-YJIPECKFSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor