General Information of the Compound
| Compound ID |
CP0897852
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| Compound Name |
30-Ethyl-6,9,18,24,33-pentaisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-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 |
C59H107N11O11
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| Molecular Weight |
1146.571
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| Canonical SMILES |
CC[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](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/C59H107N11O11/c1-25-41-55(77)64(18)31-47(71)65(19)42(26-32(2)3)53(75)63-48(37(12)13)58(80)66(20)43(27-33(4)5)51(73)60-39(16)50(72)61-40(17)54(76)68(22)45(29-35(8)9)56(78)69(23)46(30-36(10)11)57(79)70(24)49(38(14)15)59(81)67(21)44(28-34(6)7)52(74)62-41/h32-46,48-49H,25-31H2,1-24H3,(H,60,73)(H,61,72)(H,62,74)(H,63,75)/t39-,40+,41-,42+,43+,44-,45-,46-,48+,49-/m0/s1
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| InChIKey |
JFJHGNWTEKJXNK-CJDKXPMRSA-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