General Information of the Compound
| Compound ID |
CP0203139
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| Compound Name |
(2R)-7-cyclopropylsulfonyl-4,17,20-trimethyl-2-[(1-oxo-2H-isoquinolin-7-yl)amino]-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(19),6,8,10(21),16(20),17-hexaene-3,12-dione
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| Structure |
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| Formula |
C33H34N4O6S
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| Molecular Weight |
614.724
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| Canonical SMILES |
CN1Cc2cc(NC(=O)OCCc3c(C)cc(cc3C)[C@@H](Nc3ccc4cc[nH]c(=O)c4c3)C1=O)ccc2S(=O)(=O)C1CC1
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| InChI |
InChI=1S/C33H34N4O6S/c1-19-14-22-15-20(2)27(19)11-13-43-33(40)36-24-6-9-29(44(41,42)26-7-8-26)23(16-24)18-37(3)32(39)30(22)35-25-5-4-21-10-12-34-31(38)28(21)17-25/h4-6,9-10,12,14-17,26,30,35H,7-8,11,13,18H2,1-3H3,(H,34,38)(H,36,40)/t30-/m1/s1
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| InChIKey |
YJTFTQFUZXRAGN-SSEXGKCCSA-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