General Information of the Compound
| Compound ID |
CP0297496
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| Compound Name |
(R)-7-Ethylaminomethyl-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 |
C15H19N3O2S
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| Molecular Weight |
305.403
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| Canonical SMILES |
CCNC[C@@H]1CNc2c(sc3ccc(OC)cc23)C(=O)N1
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| InChI |
InChI=1S/C15H19N3O2S/c1-3-16-7-9-8-17-13-11-6-10(20-2)4-5-12(11)21-14(13)15(19)18-9/h4-6,9,16-17H,3,7-8H2,1-2H3,(H,18,19)/t9-/m1/s1
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| InChIKey |
XOXRXPXQHFMGSV-SECBINFHSA-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