General Information of the Compound
| Compound ID |
CP0556050
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| Compound Name |
US9278960, 4-64
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| Structure |
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| Formula |
C23H29N5O2
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| Molecular Weight |
407.518
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| Canonical SMILES |
CC(C)CC1COCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1
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| InChI |
InChI=1S/C23H29N5O2/c1-15(2)8-18-14-30-7-6-28(18)12-16-4-5-19-20(17-11-25-27(3)13-17)10-22(23(24)29)26-21(19)9-16/h4-5,9-11,13,15,18H,6-8,12,14H2,1-3H3,(H2,24,29)
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| InChIKey |
BRKGAZHLBSKZJN-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