General Information of the Compound
| Compound ID |
CP0403438
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| Compound Name |
US10047092, 59
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| Structure |
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| Formula |
C24H29ClF3N5O3
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| Molecular Weight |
527.975
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2C(=O)N1Cc1cccc(c1Cl)C(F)(F)F)C1CCCN(C1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C24H29ClF3N5O3/c1-14-11-33-19(16-8-6-10-31(12-16)22(35)36-23(2,3)4)29-30-20(33)21(34)32(14)13-15-7-5-9-17(18(15)25)24(26,27)28/h5,7,9,14,16H,6,8,10-13H2,1-4H3/t14-,16?/m0/s1
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| InChIKey |
VZOGDRKMTWGOSH-LBAUFKAWSA-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7