General Information of the Compound
| Compound ID |
CP0479214
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| Compound Name |
US10336717, Compound 187
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| Structure |
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| Formula |
C23H25ClN4O2
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| Molecular Weight |
424.932
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| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cncc(Cl)c2)CC1
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| InChI |
InChI=1S/C23H25ClN4O2/c1-28-20(29)23(27-21(28)25)19-10-14(16-9-17(24)13-26-12-16)3-4-15(19)11-22(23)7-5-18(30-2)6-8-22/h3-4,9-10,12-13,18H,5-8,11H2,1-2H3,(H2,25,27)
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| InChIKey |
OBMDTPCNLIHYNL-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