General Information of the Compound
| Compound ID |
CP0398008
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| Compound Name |
methyl (1S,12E,14R,15R,18S)-15-ethyl-17-methyl-12-(pyridin-3-ylmethylcarbamothioylhydrazinylidene)-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 |
C28H34N6O2S
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| Molecular Weight |
518.687
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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\NC(=S)NCc1cccnc1
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| InChI |
InChI=1S/C28H34N6O2S/c1-4-18-16-34(2)24-13-21-19-9-5-6-10-22(19)31-26(21)23(12-20(18)25(24)27(35)36-3)32-33-28(37)30-15-17-8-7-11-29-14-17/h5-11,14,18,20,24-25,31H,4,12-13,15-16H2,1-3H3,(H2,30,33,37)/b32-23+/t18-,20+,24-,25-/m0/s1
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| InChIKey |
KATKJDVZLHVWGM-VPDCWWBUSA-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