General Information of the Compound
| Compound ID |
CP0500220
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| Compound Name |
US8772323, 231
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| Structure |
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| Formula |
C27H32N4O4
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| Molecular Weight |
476.577
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OC(C)(C)CN2CCOCC2)cc1
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| InChI |
InChI=1S/C27H32N4O4/c1-4-18-16-24(32)29-30-25(18)20-7-10-22-23(15-20)34-26(28-22)19-5-8-21(9-6-19)35-27(2,3)17-31-11-13-33-14-12-31/h5-10,15,18H,4,11-14,16-17H2,1-3H3,(H,29,32)
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| InChIKey |
NZLNXDFVVASMPK-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