General Information of the Compound
| Compound ID |
CP0564469
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| Compound Name |
US9434725, 120
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| Structure |
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| Formula |
C20H21N7S
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| Molecular Weight |
391.504
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| Canonical SMILES |
Cc1cc(sn1)-c1cc2n(ncc2cn1)-c1cccc(n1)N1CCCNCC1
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| InChI |
InChI=1S/C20H21N7S/c1-14-10-18(28-25-14)16-11-17-15(12-22-16)13-23-27(17)20-5-2-4-19(24-20)26-8-3-6-21-7-9-26/h2,4-5,10-13,21H,3,6-9H2,1H3
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| InChIKey |
RNTZOUPFYLQDEB-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