General Information of the Compound
| Compound ID |
CP0463601
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| Compound Name |
2,2-dimethyl-N-[13-[(3-methylpyridin-2-yl)amino]-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraen-4-yl]propanamide
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| Structure |
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| Formula |
C21H25N5OS2
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| Molecular Weight |
427.599
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| Canonical SMILES |
Cc1cccnc1Nc1nc-2c(CCCCc3nc(NC(=O)C(C)(C)C)sc-23)s1
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| InChI |
InChI=1S/C21H25N5OS2/c1-12-8-7-11-22-17(12)25-20-24-15-14(28-20)10-6-5-9-13-16(15)29-19(23-13)26-18(27)21(2,3)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,22,24,25)(H,23,26,27)
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| InChIKey |
QGEVJPMWSVMQBQ-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