General Information of the Compound
| Compound ID |
CP0487542
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| Compound Name |
(3S,6S,9S,12R,15S,18R,21R,24R,30S,33S)-30-ethyl-33-hexyl-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
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| Structure |
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| Formula |
C61H111N11O11
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| Molecular Weight |
1174.625
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| Canonical SMILES |
CCCCCC[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C
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| InChI |
InChI=1S/C61H111N11O11/c1-24-26-27-28-29-44-53(75)64-43(25-2)57(79)66(17)34-49(73)67(18)45(30-35(3)4)55(77)65-50(39(11)12)60(82)69(20)46(31-36(5)6)54(76)62-41(15)52(74)63-42(16)56(78)70(21)47(32-37(7)8)58(80)71(22)48(33-38(9)10)59(81)72(23)51(40(13)14)61(83)68(44)19/h35-48,50-51H,24-34H2,1-23H3,(H,62,76)(H,63,74)(H,64,75)(H,65,77)/t41-,42+,43-,44-,45+,46+,47-,48-,50+,51-/m0/s1
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| InChIKey |
FAOPPOYNVNUOHA-REMHEBHHSA-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
Protein ID: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02015, fMet-Leu-Phe receptor