General Information of the Compound
| Compound ID |
CP0095456
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| Compound Name |
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-8-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-amine
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| Structure |
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| Formula |
C20H27N5
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| Molecular Weight |
337.471
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| Canonical SMILES |
CN[C@@H]1CCN(C1)c1nc(N)nc2CC(CCCc12)c1ccccc1
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| InChI |
InChI=1S/C20H27N5/c1-22-16-10-11-25(13-16)19-17-9-5-8-15(14-6-3-2-4-7-14)12-18(17)23-20(21)24-19/h2-4,6-7,15-16,22H,5,8-13H2,1H3,(H2,21,23,24)/t15?,16-/m1/s1
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| InChIKey |
ILOMBVURTLNCEQ-OEMAIJDKSA-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor