General Information of the Compound
| Compound ID |
CP0436760
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| Compound Name |
(3S,6S,9S,12R,15S,18R,21S,24R,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24,33-pentakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-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 |
C60H109N11O11
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| Molecular Weight |
1160.598
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| Canonical SMILES |
CCC[C@@H]1NC(=O)[C@H](CC(C)C)N(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)C1=O)C(C)C
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| InChI |
InChI=1S/C60H109N11O11/c1-25-26-42-56(78)65(18)32-48(72)66(19)43(27-33(2)3)54(76)64-49(38(12)13)59(81)67(20)44(28-34(4)5)52(74)61-40(16)51(73)62-41(17)55(77)69(22)46(30-36(8)9)57(79)70(23)47(31-37(10)11)58(80)71(24)50(39(14)15)60(82)68(21)45(29-35(6)7)53(75)63-42/h33-47,49-50H,25-32H2,1-24H3,(H,61,74)(H,62,73)(H,63,75)(H,64,76)/t40-,41+,42-,43+,44+,45-,46-,47-,49-,50-/m0/s1
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| InChIKey |
NLGBWFHSHJPDQX-PASYTOIYSA-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