General Information of the Compound
| Compound ID |
CP0454719
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| Compound Name |
methyl (1S,12E,14R,15S,18S)-12-[(5-bromopyridin-2-yl)hydrazinylidene]-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 |
C26H30BrN5O2
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| Molecular Weight |
524.463
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| Canonical SMILES |
CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)\C(C[C@H]1[C@@H]2C(=O)OC)=N\Nc1ccc(Br)cn1
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| InChI |
InChI=1S/C26H30BrN5O2/c1-4-15-14-32(2)22-12-19-17-7-5-6-8-20(17)29-25(19)21(11-18(15)24(22)26(33)34-3)30-31-23-10-9-16(27)13-28-23/h5-10,13,15,18,22,24,29H,4,11-12,14H2,1-3H3,(H,28,31)/b30-21+/t15-,18-,22+,24+/m1/s1
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| InChIKey |
KSGUZOYRVXFLMZ-LMRMYWATSA-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