General Information of the Compound
| Compound ID |
CP0880813
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| Compound Name |
14,26-Di-sec-butyl-8-cyclohexyl-5-hydroxymethyl-17-(1-hydroxy-1-methyl-ethyl)-20-isobutyl-11,23-diisopropyl-6,12,18,24-tetramethyl-octadecahydro-15-oxa-3a,6,9,12,18,21,24,27-octaaza-cyclopentacycloheptacosene-4,7,10,13,16,19,22,25,28-nonaone
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| Structure |
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| Formula |
C53H92N8O12
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| Molecular Weight |
1033.363
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CO)N(C)C(=O)[C@H](C2CCCCC2)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)(C)O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)N(C)C1=O
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| InChI |
InChI=1S/C53H92N8O12/c1-17-32(9)38-49(68)58(14)40(30(5)6)45(64)54-35(27-29(3)4)47(66)60(16)43(53(11,12)72)52(71)73-42(33(10)18-2)51(70)59(15)41(31(7)8)46(65)56-39(34-23-20-19-21-24-34)50(69)57(13)37(28-62)48(67)61-26-22-25-36(61)44(63)55-38/h29-43,62,72H,17-28H2,1-16H3,(H,54,64)(H,55,63)(H,56,65)/t32-,33-,35-,36-,37+,38-,39-,40-,41-,42+,43+/m0/s1
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| InChIKey |
HVUSLLBOIUBZPU-UHUSNNNKSA-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