General Information of the Compound
| Compound ID |
CP0550784
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| Compound Name |
(1R,8R,11S,12R,14S,15R,16S,19R,20S,23R,24R,35R,36R,39S,40R,43S,44R,45S,47S,48S)-14,45-dihydroxy-11,19,24,35,40,48-hexamethyl-7-oxa-2,3,4,28,31-pentazadecacyclo[45.3.1.12,5.18,12.011,16.015,20.019,23.036,40.039,44.043,48]tripentaconta-3,5(53)-diene-27,32-dione
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| Formula |
C53H85N5O5
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| Molecular Weight |
872.293
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| Canonical SMILES |
C[C@@H]1CCC(=O)NCCNC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@@H](CC[C@]5(C)[C@H]4CC[C@]23C)n2cc(CO[C@@H]3CC[C@@]4(C)[C@@H](C3)C[C@H](O)[C@H]3[C@@H]5CC[C@H]1[C@@]5(C)CC[C@H]43)nn2
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| InChI |
InChI=1S/C53H85N5O5/c1-31-7-13-46(61)54-23-24-55-47(62)14-8-32(2)39-10-12-41-49-43(18-22-53(39,41)6)51(4)20-16-37(26-34(51)28-45(49)60)63-30-35-29-58(57-56-35)36-15-19-50(3)33(25-36)27-44(59)48-40-11-9-38(31)52(40,5)21-17-42(48)50/h29,31-34,36-45,48-49,59-60H,7-28,30H2,1-6H3,(H,54,61)(H,55,62)/t31-,32-,33+,34+,36-,37-,38-,39-,40+,41+,42+,43+,44+,45+,48+,49+,50+,51+,52-,53-/m1/s1
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| InChIKey |
YCVWBFGQDHJGIX-XULNRHOGSA-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