General Information of the Compound
| Compound ID |
CP0562034
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| Compound Name |
US10189835, Compound 796
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| Structure |
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| Formula |
C17H20ClN5O4
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| Molecular Weight |
393.831
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| Canonical SMILES |
CN(OCCO)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C17H20ClN5O4/c1-22(27-8-7-24)16(25)15-13-10-23(6-5-14(13)20-21-15)17(26)19-12-4-2-3-11(18)9-12/h2-4,9,24H,5-8,10H2,1H3,(H,19,26)(H,20,21)
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| InChIKey |
BKSGLBBHTPMRHO-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