General Information of the Compound
| Compound ID |
CP0424288
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| Compound Name |
N-[13-(5-chloro-2-methoxyanilino)-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraen-4-yl]-1,2-oxazole-5-carboxamide
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| Structure |
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| Formula |
C21H18ClN5O3S2
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| Molecular Weight |
487.994
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| Canonical SMILES |
COc1ccc(Cl)cc1Nc1nc-2c(CCCCc3nc(NC(=O)c4ccno4)sc-23)s1
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| InChI |
InChI=1S/C21H18ClN5O3S2/c1-29-14-7-6-11(22)10-13(14)25-20-26-17-16(31-20)5-3-2-4-12-18(17)32-21(24-12)27-19(28)15-8-9-23-30-15/h6-10H,2-5H2,1H3,(H,25,26)(H,24,27,28)
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| InChIKey |
PGTRRSDKEZKNFQ-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