General Information of the Compound
| Compound ID |
CP0478042
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| Compound Name |
US9266876, 36
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| Structure |
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| Formula |
C26H27N7O4S
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| Molecular Weight |
533.614
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| Canonical SMILES |
COc1cc2nc([nH]c2cc1OC)-c1ncsc1N1CCN(CC1)C(=O)Cn1c2ccccc2n(C)c1=O
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| InChI |
InChI=1S/C26H27N7O4S/c1-30-18-6-4-5-7-19(18)33(26(30)35)14-22(34)31-8-10-32(11-9-31)25-23(27-15-38-25)24-28-16-12-20(36-2)21(37-3)13-17(16)29-24/h4-7,12-13,15H,8-11,14H2,1-3H3,(H,28,29)
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| InChIKey |
ZCXBNVYAHFUACI-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