General Information of the Compound
| Compound ID |
CP0459862
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| Compound Name |
US9000185, 4, isomer 1
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4CC4)cc3[C@@]22N=C(C)C(N)=N2)CC1
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| InChI |
InChI=1S/C22H29N3O2/c1-14-20(23)25-22(24-14)19-11-18(27-13-15-3-4-15)6-5-16(19)12-21(22)9-7-17(26-2)8-10-21/h5-6,11,15,17H,3-4,7-10,12-13H2,1-2H3,(H2,23,25)/t17-,21-,22-/m0/s1
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| InChIKey |
DSCREMQTOOAGKC-HSQYWUDLSA-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