General Information of the Compound
| Compound ID |
CP0298567
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| Compound Name |
(R)-3-(2-Methoxy-phenyl)-10-methyl-9,10,11,12-tetrahydro-7-thia-4,9,12-triaza-naphtho[1,2-a]azulen-8-one
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| Structure |
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| Formula |
C22H19N3O2S
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| Molecular Weight |
389.48
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| Canonical SMILES |
COc1ccccc1-c1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1
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| InChI |
InChI=1S/C22H19N3O2S/c1-12-11-23-20-19-14-7-8-15(13-5-3-4-6-17(13)27-2)25-16(14)9-10-18(19)28-21(20)22(26)24-12/h3-10,12,23H,11H2,1-2H3,(H,24,26)/t12-/m1/s1
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| InChIKey |
QZLQDTLFMZLLHY-GFCCVEGCSA-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