General Information of the Compound
| Compound ID |
CP0552584
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| Compound Name |
2-[2-(cyclopropanecarbonylamino)pyridin-4-yl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]-4-methoxy-1,3-thiazole-5-carboxamide
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| Formula |
C35H37N7O9S
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| Molecular Weight |
731.788
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| Canonical SMILES |
COc1nc(sc1C(=O)NCCCCCCNC(=O)COc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)-c1ccnc(NC(=O)C2CC2)c1
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| InChI |
InChI=1S/C35H37N7O9S/c1-50-32-28(52-33(41-32)20-13-16-36-24(17-20)39-29(45)19-9-10-19)31(47)38-15-5-3-2-4-14-37-26(44)18-51-23-8-6-7-21-27(23)35(49)42(34(21)48)22-11-12-25(43)40-30(22)46/h6-8,13,16-17,19,22H,2-5,9-12,14-15,18H2,1H3,(H,37,44)(H,38,47)(H,36,39,45)(H,40,43,46)
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| InChIKey |
UCQGZXBWORSTTR-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