General Information of the Compound
| Compound ID |
CP0386829
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| Compound Name |
CHEMBL3323117
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| Formula |
C30H42F3N5O
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| Molecular Weight |
545.694
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| Canonical SMILES |
CC(C)(C)c1nc(cc(n1)C(F)(F)F)N1CCN(CCCCNC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)CC1
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| InChI |
InChI=1S/C30H42F3N5O/c1-29(2,3)28-35-25(30(31,32)33)21-26(36-28)38-19-17-37(18-20-38)16-8-7-15-34-27(39)24-13-11-23(12-14-24)22-9-5-4-6-10-22/h4-6,9-10,21,23-24H,7-8,11-20H2,1-3H3,(H,34,39)/t23-,24-
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| InChIKey |
IHTMZOURUQYLLI-RQNOJGIXSA-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