General Information of the Compound
| Compound ID |
CP0491577
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| Compound Name |
US9079906, 240
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| Structure |
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| Formula |
C25H35N5O5
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| Molecular Weight |
485.585
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| Canonical SMILES |
CC(C)Oc1cc(OC(C)C)c2nn(CC(=O)c3cc(OCCO)cc(c3)C(C)(C)C)c(=N)n2n1
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| InChI |
InChI=1S/C25H35N5O5/c1-15(2)34-21-13-22(35-16(3)4)27-30-23(21)28-29(24(30)26)14-20(32)17-10-18(25(5,6)7)12-19(11-17)33-9-8-31/h10-13,15-16,26,31H,8-9,14H2,1-7H3
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| InChIKey |
RPZDAHBVFSZFAF-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