General Information of the Compound
| Compound ID |
CP0845551
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| Compound Name |
30-Ethyl-33-(1-hydroxy-2-methyl-hex-4-enyl)-6,9,18-triisobutyl-3,21,24-triisopropyl-1,4,7,10,12,15,19,28-octamethyl-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 |
C60H107N11O12
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| Molecular Weight |
1174.581
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| Canonical SMILES |
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N[C@@H](C(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/C60H107N11O12/c1-24-26-27-38(15)50(73)49-54(77)63-41(25-2)56(79)66(18)31-45(72)64-46(35(9)10)53(76)65-47(36(11)12)59(82)67(19)42(28-32(3)4)52(75)61-39(16)51(74)62-40(17)55(78)68(20)43(29-33(5)6)57(80)69(21)44(30-34(7)8)58(81)70(22)48(37(13)14)60(83)71(49)23/h24,26,32-44,46-50,73H,25,27-31H2,1-23H3,(H,61,75)(H,62,74)(H,63,77)(H,64,72)(H,65,76)/b26-24+/t38-,39+,40-,41+,42-,43+,44+,46+,47-,48+,49+,50-/m1/s1
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| InChIKey |
SIIGJNLDNYOKBQ-YCSRFKBKSA-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