General Information of the Compound
| Compound ID |
CP0378576
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| Compound Name |
N-[4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butyl]-3-[(dimethylamino)methyl]-1H-indole-2-carboxamide
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| Structure |
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| Formula |
C29H40F3N7O
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| Molecular Weight |
559.681
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| Canonical SMILES |
CN(C)Cc1c([nH]c2ccccc12)C(=O)NCCCCN1CCN(CC1)c1cc(nc(n1)C(C)(C)C)C(F)(F)F
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| InChI |
InChI=1S/C29H40F3N7O/c1-28(2,3)27-35-23(29(30,31)32)18-24(36-27)39-16-14-38(15-17-39)13-9-8-12-33-26(40)25-21(19-37(4)5)20-10-6-7-11-22(20)34-25/h6-7,10-11,18,34H,8-9,12-17,19H2,1-5H3,(H,33,40)
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| InChIKey |
DKBPQSXNYNGHQK-UHFFFAOYSA-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