General Information of the Compound
Compound ID |
CP0565717
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Compound Name |
US9315518, 8-6
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Structure |
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Formula |
C29H41N5O5
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Molecular Weight |
539.677
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Canonical SMILES |
Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)C1(O)CCN(C1)C(=O)OC(C)(C)C
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InChI |
InChI=1S/C29H41N5O5/c1-27(2,3)16-34-22-9-8-21(30-23(22)31(7)25(34)36)18-12-19-14-33(15-20(19)13-18)24(35)29(38)10-11-32(17-29)26(37)39-28(4,5)6/h8-9,12,19-20,38H,10-11,13-17H2,1-7H3
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InChIKey |
KCMZRNMCBHBCHT-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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