General Information of the Compound
| Compound ID |
CP0569535
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| Compound Name |
US9150519, 1-97
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| Structure |
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| Formula |
C23H31N5O3
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| Molecular Weight |
425.533
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| Canonical SMILES |
CCCN(CC1CC1)c1cc(ncn1)C(=O)Nc1ccc(CNCCC(O)=O)cc1C
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| InChI |
InChI=1S/C23H31N5O3/c1-3-10-28(14-17-4-5-17)21-12-20(25-15-26-21)23(31)27-19-7-6-18(11-16(19)2)13-24-9-8-22(29)30/h6-7,11-12,15,17,24H,3-5,8-10,13-14H2,1-2H3,(H,27,31)(H,29,30)
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| InChIKey |
UBPZNFKIENWXRN-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