General Information of the Compound
| Compound ID |
CP0455425
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| Compound Name |
N-[(3S)-1-(9-bicyclo[3.3.1]nonanyl)pyrrolidin-3-yl]-5-chloro-4-(cyclopropanecarbonylamino)-2-methoxybenzamide
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| Structure |
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| Formula |
C25H34ClN3O3
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| Molecular Weight |
460.018
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| Canonical SMILES |
COc1cc(NC(=O)C2CC2)c(Cl)cc1C(=O)N[C@H]1CCN(C1)C1C2CCCC1CCC2
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| InChI |
InChI=1S/C25H34ClN3O3/c1-32-22-13-21(28-24(30)17-8-9-17)20(26)12-19(22)25(31)27-18-10-11-29(14-18)23-15-4-2-5-16(23)7-3-6-15/h12-13,15-18,23H,2-11,14H2,1H3,(H,27,31)(H,28,30)/t15?,16?,18-,23?/m0/s1
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| InChIKey |
QRFPXARGJKLHNN-XDHZZZRXSA-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
Protein ID: PT01161, D(4) dopamine receptor