General Information of the Compound
| Compound ID |
CP0380875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (1R,15S,17S,18S)-17-ethyl-6-[(2R,4S,5Z,8S)-5-ethylidene-8-methoxycarbonyl-9-(methylamino)-18-azatetracyclo[9.7.0.04,7.012,17]octadeca-1(11),12,14,16-tetraen-2-yl]-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-4(9),5,7-triene-1-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C44H56N4O5
|
||||||||||||||||||
| Molecular Weight |
720.955
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1C[C@@H]2CN3CCC4C(Nc5cc([C@H]6C[C@H]7C(C\C7=C\C)[C@@H](C(Cc7c6[nH]c6ccccc76)NC)C(=O)OC)c(OC)cc45)[C@](C2)([C@H]13)C(=O)OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C44H56N4O5/c1-7-24-16-31-28(24)17-32(39-33(26-11-9-10-12-34(26)46-39)19-36(45-3)38(31)42(49)52-5)30-18-35-29(20-37(30)51-4)27-13-14-48-22-23-15-25(8-2)41(48)44(21-23,40(27)47-35)43(50)53-6/h7,9-12,18,20,23,25,27-28,31-32,36,38,40-41,45-47H,8,13-17,19,21-22H2,1-6H3/b24-7-/t23-,25-,27?,28+,31?,32+,36?,38-,40?,41-,44+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YASZRXHHZSXNQI-VRHVUSBISA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound