General Information of the Compound
| Compound ID |
CP0430480
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| Compound Name |
[(1S,2R,5R,6S,7S,8R,9S,11R,13R,14R)-15-[2-(4-chlorophenyl)ethyl]-8-[(3R,4S,6R)-4-[cyclopropylmethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-6-yl] (4S)-4-methyl-2-oxo-1,3-oxazolidine-3-carboxylate
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| Structure |
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| Formula |
C47H70ClN3O13
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| Molecular Weight |
920.538
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| Canonical SMILES |
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC(=O)N2[C@@H](C)COC2=O)[C@H](C)[C@@H](OC2O[C@H](C)C[C@@H]([C@H]2O)N(C)CC2CC2)[C@](C)(C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C)OC
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| InChI |
InChI=1S/C47H70ClN3O13/c1-12-35-47(9)39(50(43(55)64-47)20-19-31-15-17-33(48)18-16-31)28(5)36(52)25(2)22-46(8,58-11)40(63-42-37(53)34(21-27(4)60-42)49(10)23-32-13-14-32)29(6)38(30(7)41(54)61-35)62-45(57)51-26(3)24-59-44(51)56/h15-18,25-30,32,34-35,37-40,42,53H,12-14,19-24H2,1-11H3/t25-,26+,27-,28+,29+,30-,34+,35-,37-,38+,39-,40-,42?,46+,47-/m1/s1
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| InChIKey |
LSWLRKGXSVFLJY-ZWKBLDHJSA-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