General Information of the Compound
| Compound ID |
CP0414717
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| Compound Name |
US10053462, 42
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| Structure |
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| Formula |
C19H14ClF3N6O
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| Molecular Weight |
434.809
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| Canonical SMILES |
FC(F)(F)c1cccc(C(=O)N2[C@H]3CC[C@@H]2c2nnc(-c4cnccn4)n2C3)c1Cl
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| InChI |
InChI=1S/C19H14ClF3N6O/c20-15-11(2-1-3-12(15)19(21,22)23)18(30)29-10-4-5-14(29)17-27-26-16(28(17)9-10)13-8-24-6-7-25-13/h1-3,6-8,10,14H,4-5,9H2/t10-,14+/m0/s1
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| InChIKey |
GXIFGAOSXYVTTL-IINYFYTJSA-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7