General Information of the Compound
| Compound ID |
CP0378615
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| Compound Name |
methyl (1S,12S,14R,15R,18S)-12-[(E)-but-2-enoyl]oxy-15-ethyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
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| Structure |
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| Formula |
C25H32N2O4
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| Molecular Weight |
424.541
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| Canonical SMILES |
CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](C[C@H]1[C@@H]2C(=O)OC)OC(=O)\C=C\C
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| InChI |
InChI=1S/C25H32N2O4/c1-5-9-22(28)31-21-13-17-15(6-2)14-27(3)20(23(17)25(29)30-4)12-18-16-10-7-8-11-19(16)26-24(18)21/h5,7-11,15,17,20-21,23,26H,6,12-14H2,1-4H3/b9-5+/t15-,17+,20-,21-,23-/m0/s1
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| InChIKey |
LZRICBBRQWJAND-CVTUKNLQSA-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