General Information of the Compound
| Compound ID |
CP0512036
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| Compound Name |
US9163012, 31
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| Formula |
C24H30N4O3
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| Molecular Weight |
422.529
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| Canonical SMILES |
Cn1c(nc2ccccc12)C1CCN(C1)C(=O)O[C@H]1C2CC3CC1C[C@](C3)(C2)C(N)=O
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| InChI |
InChI=1S/C24H30N4O3/c1-27-19-5-3-2-4-18(19)26-21(27)15-6-7-28(13-15)23(30)31-20-16-8-14-9-17(20)12-24(10-14,11-16)22(25)29/h2-5,14-17,20H,6-13H2,1H3,(H2,25,29)/t14?,15?,16?,17?,20-,24-
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| InChIKey |
QQKUJJLPXGCQRU-FOTDIWKJSA-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