General Information of the Compound
| Compound ID |
CP0572911
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| Compound Name |
benzyl N-[(1S)-1-[(3S,7aR)-6-[3-(diaminomethylideneamino)propyl]-5,7-dioxo-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-3-yl]-3-methylbutyl]carbamate
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| Structure |
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| Formula |
C22H32N6O4S
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| Molecular Weight |
476.603
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@H]1SC[C@@H]2N1C(=O)N(CCCNC(N)=N)C2=O
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| InChI |
InChI=1S/C22H32N6O4S/c1-14(2)11-16(26-21(30)32-12-15-7-4-3-5-8-15)19-28-17(13-33-19)18(29)27(22(28)31)10-6-9-25-20(23)24/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3,(H,26,30)(H4,23,24,25)/t16-,17-,19-/m0/s1
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| InChIKey |
OUOWHRBPNJRHJY-LNLFQRSKSA-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