General Information of the Compound
| Compound ID |
CP0457307
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| Compound Name |
4-Bromo-1-methoxy-naphthalene-2-carboxylic acid (1-adamantan-2-yl-pyrrolidin-2-ylmethyl)-amide
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| Formula |
C27H33BrN2O2
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| Molecular Weight |
497.477
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| Canonical SMILES |
COc1c(cc(Br)c2ccccc12)C(=O)NC[C@H]1CCCN1C1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2
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| InChI |
InChI=1S/C27H33BrN2O2/c1-32-26-22-7-3-2-6-21(22)24(28)14-23(26)27(31)29-15-20-5-4-8-30(20)25-18-10-16-9-17(12-18)13-19(25)11-16/h2-3,6-7,14,16-20,25H,4-5,8-13,15H2,1H3,(H,29,31)/t16-,17+,18-,19+,20-,25?/m1/s1
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| InChIKey |
NCPWXKOHFJBWEP-NDKMIFBWSA-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: PT00957, D(2) dopamine receptor
Protein ID: PT01366, D(3) dopamine receptor