General Information of the Compound
| Compound ID |
CP0550215
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| Compound Name |
US9029360, 18
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| Structure |
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| Formula |
C17H18ClN5OS
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| Molecular Weight |
375.885
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2s1)C(=O)c1cc2ncc(Cl)cn2n1
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| InChI |
InChI=1S/C17H18ClN5OS/c1-10(2)16-20-12-3-5-22(6-4-14(12)25-16)17(24)13-7-15-19-8-11(18)9-23(15)21-13/h7-10H,3-6H2,1-2H3
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| InChIKey |
SLJUBBDNWOFUGZ-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