General Information of the Compound
| Compound ID |
CP0450030
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| Compound Name |
US9340542, 8
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| Structure |
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| Formula |
C22H27N3O3
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| Molecular Weight |
381.476
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| Canonical SMILES |
Oc1ccc2C[C@]34CC[C@@]5(C[C@]3(CCN(CC3CC3)C4)c2c1)NC(=O)NC5=O
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| InChI |
InChI=1S/C22H27N3O3/c26-16-4-3-15-10-20-5-6-22(18(27)23-19(28)24-22)12-21(20,17(15)9-16)7-8-25(13-20)11-14-1-2-14/h3-4,9,14,26H,1-2,5-8,10-13H2,(H2,23,24,27,28)/t20-,21+,22-/m0/s1
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| InChIKey |
QCIIDNPIIDWWMQ-BDTNDASRSA-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