General Information of the Compound
| Compound ID |
CP0928194
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| Compound Name |
US9328120, 2
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| Structure |
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
Cc1nc([C@@H]2CC[C@H]2c2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)oc1C
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| InChI |
InChI=1S/C19H23N5O3/c1-10-11(2)27-19(21-10)14-4-3-13(14)16-22-17-15(18(25)23-16)9-20-24(17)12-5-7-26-8-6-12/h9,12-14H,3-8H2,1-2H3,(H,22,23,25)/t13-,14-/m1/s1
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| InChIKey |
IWSPMIPTDFBWCX-ZIAGYGMSSA-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