General Information of the Compound
| Compound ID |
CP0465550
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| Compound Name |
US10336717, Compound 196
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| Structure |
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| Formula |
C21H24N4O2S
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| Molecular Weight |
396.516
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncs2)CC1
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| InChI |
InChI=1S/C21H24N4O2S/c1-25-18(26)21(24-19(25)22)16-9-13(17-11-23-12-28-17)3-4-14(16)10-20(21)7-5-15(27-2)6-8-20/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H2,22,24)
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| InChIKey |
VIKFIFLWVNYSCR-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