General Information of the Compound
| Compound ID |
CP0966183
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| Compound Name |
1-sec-butyl-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-6-(6-(4-(6-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yloxy)hexyl)piperazin-1-yl)pyridin-3-yl)-3-methyl-1H-indole-4-carboxamide
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| Formula |
C50H58N8O7
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| Molecular Weight |
883.063
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| Canonical SMILES |
CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCN(CCCCCCOc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)nc3)cc21
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| InChI |
InChI=1S/C50H58N8O7/c1-6-33(5)57-29-31(3)44-37(46(60)52-28-38-30(2)24-32(4)53-47(38)61)25-35(26-40(44)57)34-14-16-42(51-27-34)56-21-19-55(20-22-56)18-9-7-8-10-23-65-41-13-11-12-36-45(41)50(64)58(49(36)63)39-15-17-43(59)54-48(39)62/h11-14,16,24-27,29,33,39H,6-10,15,17-23,28H2,1-5H3,(H,52,60)(H,53,61)(H,54,59,62)/t33-,39?/m0/s1
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| InChIKey |
RLAAXGAAEWLCAE-YNWFVEANSA-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