General Information of the Compound
| Compound ID |
CP0398216
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| Compound Name |
methyl (1S,14R,15R,18S)-10-benzyl-15-ethyl-17-methyl-12-oxo-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 |
C28H32N2O3
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| Molecular Weight |
444.575
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| Canonical SMILES |
CC[C@H]1CN(C)[C@H]2Cc3c(C(=O)C[C@H]1[C@@H]2C(=O)OC)n(Cc1ccccc1)c1ccccc31
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| InChI |
InChI=1S/C28H32N2O3/c1-4-19-17-29(2)24-14-22-20-12-8-9-13-23(20)30(16-18-10-6-5-7-11-18)27(22)25(31)15-21(19)26(24)28(32)33-3/h5-13,19,21,24,26H,4,14-17H2,1-3H3/t19-,21+,24-,26-/m0/s1
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| InChIKey |
PWDPPLCZVSMUPL-YPLHNQGHSA-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