General Information of the Compound
| Compound ID |
CP0515545
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| Compound Name |
US8993586, 10
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| Structure |
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| Formula |
C21H26N6O2
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| Molecular Weight |
394.479
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| Canonical SMILES |
CC(C)n1ncc2CC3(CCN(CC3)C(=O)C3=CC4NC=CC4N=C3)NC(=O)c12
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| InChI |
InChI=1S/C21H26N6O2/c1-13(2)27-18-15(12-24-27)10-21(25-19(18)28)4-7-26(8-5-21)20(29)14-9-17-16(23-11-14)3-6-22-17/h3,6,9,11-13,16-17,22H,4-5,7-8,10H2,1-2H3,(H,25,28)
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| InChIKey |
ZMPVRIFDVCHSNA-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