General Information of the Compound
| Compound ID |
CP0522216
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| Compound Name |
US9163012, 62
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| Formula |
C24H30N4O4
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| Molecular Weight |
438.528
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| Canonical SMILES |
Cn1c2ccccc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O
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| InChI |
InChI=1S/C24H30N4O4/c1-26-18-4-2-3-5-19(18)28(22(26)30)17-6-7-27(13-17)23(31)32-20-15-8-14-9-16(20)12-24(10-14,11-15)21(25)29/h2-5,14-17,20H,6-13H2,1H3,(H2,25,29)/t14?,15?,16?,17-,20-,24-/m1/s1
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| InChIKey |
PFBKWOOKYMGJLN-YALMGZAISA-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