General Information of the Compound
| Compound ID |
CP0536209
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| Compound Name |
US9079906, 89
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| Structure |
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| Formula |
C25H35N5O4
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| Molecular Weight |
469.586
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| Canonical SMILES |
CCC(CC)Oc1cc(C)c2nn(CC(=O)c3cc(OCCO)cc(c3)C(C)(C)C)c(=N)n2n1
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| InChI |
InChI=1S/C25H35N5O4/c1-7-19(8-2)34-22-11-16(3)23-28-29(24(26)30(23)27-22)15-21(32)17-12-18(25(4,5)6)14-20(13-17)33-10-9-31/h11-14,19,26,31H,7-10,15H2,1-6H3
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| InChIKey |
OJIBNOKKDQMXKI-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