General Information of the Compound
| Compound ID |
CP0441824
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| Compound Name |
methyl (1S,14R,15R,18S)-10-[2-(diethylamino)ethyl]-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 |
C27H39N3O3
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| Molecular Weight |
453.627
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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(CCN(CC)CC)c1ccccc31
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| InChI |
InChI=1S/C27H39N3O3/c1-6-18-17-28(4)23-15-21-19-11-9-10-12-22(19)30(14-13-29(7-2)8-3)26(21)24(31)16-20(18)25(23)27(32)33-5/h9-12,18,20,23,25H,6-8,13-17H2,1-5H3/t18-,20+,23-,25-/m0/s1
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| InChIKey |
FDZPVQQUSWURDH-WHQVRJBJSA-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