General Information of the Compound
| Compound ID |
CP0874522
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| Compound Name |
6,9,18,24-Tetraisobutyl-3,21,30-triisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-33-(2-methyl-hept-4-enyl)-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 |
C64H115N11O11
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| Molecular Weight |
1214.69
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| Canonical SMILES |
CC/C=C/C[C@@H](C)C[C@H]1C(=O)N[C@@H](C(C)C)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](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/C64H115N11O11/c1-26-27-28-29-43(16)34-48-58(80)67-52(40(10)11)62(84)69(19)35-51(76)70(20)46(30-36(2)3)57(79)68-53(41(12)13)63(85)71(21)47(31-37(4)5)56(78)65-44(17)55(77)66-45(18)59(81)73(23)49(32-38(6)7)60(82)74(24)50(33-39(8)9)61(83)75(25)54(42(14)15)64(86)72(48)22/h27-28,36-50,52-54H,26,29-35H2,1-25H3,(H,65,78)(H,66,77)(H,67,80)(H,68,79)/b28-27+/t43-,44+,45-,46-,47-,48+,49+,50+,52+,53+,54+/m1/s1
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| InChIKey |
LHXYOCTZTJOKRR-AGIXPFNGSA-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