General Information of the Compound
| Compound ID |
CP0879427
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| Compound Name |
Cosalane analogue
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| Structure |
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| Formula |
C65H80N2O14
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| Molecular Weight |
1113.355
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| Canonical SMILES |
COc1ccc(C(=O)Nc2cc(C(=CCC[C@H]3CC[C@@]4(C)C(CC[C@H]5[C@@H]6CC[C@H](C(C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)c3cc(NC(=O)c4ccc(OC)c(C(=O)O)c4)c(OC)c(C(=O)O)c3)cc(C(=O)O)c2OC)cc1C(=O)O
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| InChI |
InChI=1S/C65H80N2O14/c1-35(2)12-10-13-36(3)49-20-21-50-44-19-18-42-28-37(24-26-64(42,4)51(44)25-27-65(49,50)5)14-11-15-43(40-31-47(62(74)75)56(80-8)52(33-40)66-58(68)38-16-22-54(78-6)45(29-38)60(70)71)41-32-48(63(76)77)57(81-9)53(34-41)67-59(69)39-17-23-55(79-7)46(30-39)61(72)73/h15-17,22-23,29-37,42,44,49-51H,10-14,18-21,24-28H2,1-9H3,(H,66,68)(H,67,69)(H,70,71)(H,72,73)(H,74,75)(H,76,77)/t36?,37-,42?,44-,49+,50-,51-,64-,65+/m0/s1
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| InChIKey |
QLQSFWWDGAOSFG-SLAGLEOVSA-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