General Information of the Compound
| Compound ID |
CP0336245
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| Compound Name |
2-[(9S)-4,5,13-trimethyl-7-propyl-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide
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| Structure |
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| Formula |
C17H21N3O2S
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| Molecular Weight |
331.441
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| Canonical SMILES |
CCCC1=N[C@@H](CC(N)=O)c2onc(C)c2-c2sc(C)c(C)c12
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| InChI |
InChI=1S/C17H21N3O2S/c1-5-6-11-14-8(2)10(4)23-17(14)15-9(3)20-22-16(15)12(19-11)7-13(18)21/h12H,5-7H2,1-4H3,(H2,18,21)/t12-/m0/s1
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| InChIKey |
KPAWGWFSHZEMEO-LBPRGKRZSA-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