General Information of the Compound
| Compound ID |
CP0072879
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| Compound Name |
US8680275, 176
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| Structure |
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| Formula |
C22H23N5O2
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| Molecular Weight |
389.459
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| Canonical SMILES |
Cc1cc(C)nc(n1)N1C[C@@H]2CCN(C[C@H]12)C(=O)c1cnoc1-c1ccccc1
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| InChI |
InChI=1S/C22H23N5O2/c1-14-10-15(2)25-22(24-14)27-12-17-8-9-26(13-19(17)27)21(28)18-11-23-29-20(18)16-6-4-3-5-7-16/h3-7,10-11,17,19H,8-9,12-13H2,1-2H3/t17-,19-/m0/s1
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| InChIKey |
RUTAJQSZMQXFES-HKUYNNGSSA-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