General Information of the Compound
| Compound ID |
CP0916099
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| Compound Name |
30-(1-Hydroxy-ethyl)-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31undecaaza-cyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
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| Structure |
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| Formula |
C60H107N11O13
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| Molecular Weight |
1190.58
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| Canonical SMILES |
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C
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| InChI |
InChI=1S/C60H107N11O13/c1-24-25-26-37(14)50(74)49-54(78)65-47(40(17)72)58(82)66(18)30-44(73)63-45(34(8)9)53(77)64-46(35(10)11)59(83)67(19)41(27-31(2)3)52(76)61-38(15)51(75)62-39(16)55(79)68(20)42(28-32(4)5)56(80)69(21)43(29-33(6)7)57(81)70(22)48(36(12)13)60(84)71(49)23/h24-25,31-43,45-50,72,74H,26-30H2,1-23H3,(H,61,76)(H,62,75)(H,63,73)(H,64,77)(H,65,78)/b25-24+/t37-,38+,39-,40-,41-,42+,43+,45+,46-,47+,48+,49+,50-/m1/s1
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| InChIKey |
IMJWIFHWHLWFDD-QNBKEXRESA-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