General Information of the Compound
| Compound ID |
CP0381456
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| Compound Name |
(S)-2-(3-(dimethylamino)pyrrolidin-1-yl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
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| Structure |
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| Formula |
C27H29F6N7
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| Molecular Weight |
565.566
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| Canonical SMILES |
CN(C)[C@H]1CCN(C1)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(F)(F)F)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C27H29F6N7/c1-38(2)19-9-13-40(16-19)25-36-22-11-15-39(24-21(27(31,32)33)4-3-12-34-24)14-10-20(22)23(37-25)35-18-7-5-17(6-8-18)26(28,29)30/h3-8,12,19H,9-11,13-16H2,1-2H3,(H,35,36,37)/t19-/m0/s1
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| InChIKey |
PKILCYFBQFTXGK-IBGZPJMESA-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1