General Information of the Compound
| Compound ID |
CP0398231
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| Compound Name |
methyl (1S,14R,15R,18S)-15-ethyl-17-methyl-10-(3-methylbenzoyl)-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 |
C29H32N2O4
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| Molecular Weight |
472.585
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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(C(=O)c1cccc(C)c1)c1ccccc31
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| InChI |
InChI=1S/C29H32N2O4/c1-5-18-16-30(3)24-14-22-20-11-6-7-12-23(20)31(28(33)19-10-8-9-17(2)13-19)27(22)25(32)15-21(18)26(24)29(34)35-4/h6-13,18,21,24,26H,5,14-16H2,1-4H3/t18-,21+,24-,26-/m0/s1
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| InChIKey |
VILBKXQBXLLJOM-JASAYYIXSA-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