General Information of the Compound
| Compound ID |
CP0577863
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| Compound Name |
US9409917, 91
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| Structure |
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| Formula |
C21H25N5O3
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| Molecular Weight |
395.463
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| Canonical SMILES |
O=C(NCC(N1CCOCC1)c1cnc(nc1)C1CC1)C1COc2ncccc12
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| InChI |
InChI=1S/C21H25N5O3/c27-20(17-13-29-21-16(17)2-1-5-22-21)25-12-18(26-6-8-28-9-7-26)15-10-23-19(24-11-15)14-3-4-14/h1-2,5,10-11,14,17-18H,3-4,6-9,12-13H2,(H,25,27)
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| InChIKey |
UUSNDWTVEVANBB-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