General Information of the Compound
| Compound ID |
CP0454480
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| Compound Name |
3-[[(2R)-4-methyl-3,12-dioxo-7-propan-2-ylsulfonyl-13-oxa-4,11-diazatricyclo[14.2.2.16,10]henicosa-1(19),6,8,10(21),16(20),17-hexaen-2-yl]amino]benzamide
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| Structure |
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| Formula |
C29H32N4O6S
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| Molecular Weight |
564.664
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| Canonical SMILES |
CC(C)S(=O)(=O)c1ccc2NC(=O)OCCc3ccc(cc3)[C@@H](Nc3cccc(c3)C(N)=O)C(=O)N(C)Cc1c2
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| InChI |
InChI=1S/C29H32N4O6S/c1-18(2)40(37,38)25-12-11-24-16-22(25)17-33(3)28(35)26(31-23-6-4-5-21(15-23)27(30)34)20-9-7-19(8-10-20)13-14-39-29(36)32-24/h4-12,15-16,18,26,31H,13-14,17H2,1-3H3,(H2,30,34)(H,32,36)/t26-/m1/s1
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| InChIKey |
XSMZORAYDXSGBA-AREMUKBSSA-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