General Information of the Compound
| Compound ID |
CP0478322
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| Compound Name |
US9434725, 304
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| Structure |
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| Formula |
C20H19N7O
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| Molecular Weight |
373.42
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| Canonical SMILES |
N[C@H]1CCC[C@@H]1Oc1cncc(n1)-c1cc2n(ncc2cn1)-c1ccccn1
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| InChI |
InChI=1S/C20H19N7O/c21-14-4-3-5-18(14)28-20-12-22-11-16(26-20)15-8-17-13(9-24-15)10-25-27(17)19-6-1-2-7-23-19/h1-2,6-12,14,18H,3-5,21H2/t14-,18-/m0/s1
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| InChIKey |
FHESSCZVRQCSRX-KSSFIOAISA-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