General Information of the Compound
| Compound ID |
CP0459618
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| Compound Name |
10-(2-chloro-4-methoxyphenyl)-11-methyl-N-pentan-3-yl-5-oxa-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-amine
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| Structure |
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| Formula |
C21H25ClN4O2
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| Molecular Weight |
400.91
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| Canonical SMILES |
CCC(CC)Nc1c2COCc2nc2c(c(C)nn12)-c1ccc(OC)cc1Cl
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| InChI |
InChI=1S/C21H25ClN4O2/c1-5-13(6-2)23-20-16-10-28-11-18(16)24-21-19(12(3)25-26(20)21)15-8-7-14(27-4)9-17(15)22/h7-9,13,23H,5-6,10-11H2,1-4H3
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| InChIKey |
WKPMOOPAHTUXTP-UHFFFAOYSA-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