General Information of the Compound
| Compound ID |
CP0362499
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| Compound Name |
(S)-7-[(Benzyl-methyl-amino)-methyl]-3-methoxy-5,6,7,8-tetrahydro-10-thia-5,8-diaza-benzo[a]azulen-9-one
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| Structure |
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| Formula |
C21H23N3O2S
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| Molecular Weight |
381.501
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| Canonical SMILES |
COc1ccc2sc3c(NC[C@@H](CN(C)Cc4ccccc4)NC3=O)c2c1
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| InChI |
InChI=1S/C21H23N3O2S/c1-24(12-14-6-4-3-5-7-14)13-15-11-22-19-17-10-16(26-2)8-9-18(17)27-20(19)21(25)23-15/h3-10,15,22H,11-13H2,1-2H3,(H,23,25)/t15-/m0/s1
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| InChIKey |
DJUGDBUCNZFFNS-HNNXBMFYSA-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