General Information of the Compound
| Compound ID |
CP0550126
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| Compound Name |
US9000185, 1
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(Cc3ccc(OCC4(C)CC4)cc3C22N=C(C)C(N)=N2)CC1
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| InChI |
InChI=1S/C23H31N3O2/c1-15-20(24)26-23(25-15)19-12-18(28-14-21(2)10-11-21)5-4-16(19)13-22(23)8-6-17(27-3)7-9-22/h4-5,12,17H,6-11,13-14H2,1-3H3,(H2,24,26)/t17-,22-,23?
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| InChIKey |
GSAVHMBMISQPPR-DRXONWLQSA-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