General Information of the Compound
| Compound ID |
CP0378624
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| Compound Name |
methyl (1S,14R,15R,18S)-15-ethyl-17-methyl-12-sulfanylidene-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 |
C21H26N2O2S
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| Molecular Weight |
370.518
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| Canonical SMILES |
CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)C(=S)C[C@H]1[C@@H]2C(=O)OC
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| InChI |
InChI=1S/C21H26N2O2S/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(26)10-14(12)19(17)21(24)25-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17-,19-/m0/s1
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| InChIKey |
PFYDBTCFTDSLFJ-HBMYEMETSA-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