General Information of the Compound
| Compound ID |
CP0860289
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| Compound Name |
15,30-Diethyl-33-(1-hydroxy-2-methyl-hept-4-enyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,19,25,28-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 |
C64H115N11O12
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| Molecular Weight |
1230.689
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| Canonical SMILES |
CC/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)[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](CC)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/C64H115N11O12/c1-25-28-29-30-42(16)54(77)53-58(81)67-45(27-3)60(83)69(18)35-50(76)70(19)46(31-36(4)5)57(80)68-51(40(12)13)63(86)71(20)47(32-37(6)7)56(79)66-44(26-2)55(78)65-43(17)59(82)72(21)48(33-38(8)9)61(84)73(22)49(34-39(10)11)62(85)74(23)52(41(14)15)64(87)75(53)24/h28-29,36-49,51-54,77H,25-27,30-35H2,1-24H3,(H,65,78)(H,66,79)(H,67,81)(H,68,80)/b29-28+/t42-,43-,44+,45+,46-,47-,48+,49+,51-,52+,53+,54-/m1/s1
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| InChIKey |
NDZFDJPZSCYKMG-DVSRNCBQSA-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