General Information of the Compound
| Compound ID |
CP0500451
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| Compound Name |
CHEMBL1916249
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| Formula |
C22H27ClN4O3
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| Molecular Weight |
430.936
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| Canonical SMILES |
COCCn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C
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| InChI |
InChI=1S/C22H27ClN4O3/c1-21(2)19(25-18(28)17-8-9-27(26-17)10-11-29-5)22(3,4)20(21)30-15-7-6-14(13-24)16(23)12-15/h6-9,12,19-20H,10-11H2,1-5H3,(H,25,28)/t19-,20-
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| InChIKey |
XYFZEIFUYSVWKD-MXVIHJGJSA-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