General Information of the Compound
| Compound ID |
CP0557068
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| Compound Name |
US9212153, 451,Ex. 386
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| Structure |
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| Formula |
C23H23N5O2
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| Molecular Weight |
401.47
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| Canonical SMILES |
CN1OC2(N=C1N)c1cc(ccc1CC21CCc2onc(C)c2C1)-c1cccnc1
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| InChI |
InChI=1S/C23H23N5O2/c1-14-18-12-22(8-7-20(18)29-27-14)11-16-6-5-15(17-4-3-9-25-13-17)10-19(16)23(22)26-21(24)28(2)30-23/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H2,24,26)
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| InChIKey |
YKDYJYYDMRVSEL-UHFFFAOYSA-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