General Information of the Compound
| Compound ID |
CP0908313
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| Compound Name |
30-Ethyl-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-(2-methyl-cyclohexyl)-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 |
C62H111N11O11
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| Molecular Weight |
1186.636
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| Canonical SMILES |
CC[C@@H]1NC(=O)[C@H](C2CCCCC2C)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](C(C)C)NC(=O)[C@@H](CC(C)C)N(C)C(=O)CN(C)C1=O
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| InChI |
InChI=1S/C62H111N11O11/c1-24-44-58(80)67(17)33-49(74)68(18)45(29-34(2)3)55(77)66-50(38(10)11)61(83)69(19)46(30-35(4)5)54(76)63-41(15)53(75)64-42(16)57(79)70(20)47(31-36(6)7)59(81)71(21)48(32-37(8)9)60(82)72(22)51(39(12)13)62(84)73(23)52(56(78)65-44)43-28-26-25-27-40(43)14/h34-48,50-52H,24-33H2,1-23H3,(H,63,76)(H,64,75)(H,65,78)(H,66,77)/t40?,41-,42-,43?,44+,45-,46-,47+,48+,50-,51+,52+/m1/s1
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| InChIKey |
ZIUGOJDAFBZMGO-QVWVYQRCSA-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