General Information of the Compound
| Compound ID |
CP0932129
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| Compound Name |
30-Ethyl-33-(1-hydroxy-2-methyl-hept-4-enyl)-6,9,24-triisobutyl-3,21-diisopropyl-1,4,7,10,12,15,18,19,25,28-decamethyl-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 |
C60H107N11O12
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| Molecular Weight |
1174.581
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| Canonical SMILES |
CC/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@@H](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/C60H107N11O12/c1-24-26-27-28-38(13)50(73)49-54(77)63-42(25-2)56(79)65(17)32-46(72)67(19)43(29-33(3)4)53(76)64-47(36(9)10)59(82)66(18)41(16)52(75)61-39(14)51(74)62-40(15)55(78)68(20)44(30-34(5)6)57(80)69(21)45(31-35(7)8)58(81)70(22)48(37(11)12)60(83)71(49)23/h26-27,33-45,47-50,73H,24-25,28-32H2,1-23H3,(H,61,75)(H,62,74)(H,63,77)(H,64,76)/b27-26+/t38-,39+,40-,41+,42+,43-,44+,45+,47-,48+,49+,50-/m1/s1
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| InChIKey |
ZBAQVHCKEQZABY-QIDMXWRKSA-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