General Information of the Compound
| Compound ID |
CP0947164
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| Compound Name |
(S)-4-Amino-6-(2'-chloro-4'-((3-hydroxy-2-oxopyrrolidin-1-yl)methyl)biphenyl-4-yl)-7,8-dihydropyrimido[5,4-f][1,4]oxazepin-5(6H)-one
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| Structure |
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| Formula |
C24H22ClN5O4
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| Molecular Weight |
479.924
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| Canonical SMILES |
Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(CN4CC[C@H](O)C4=O)cc3Cl)cc1)CCO2
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| InChI |
InChI=1S/C24H22ClN5O4/c25-18-11-14(12-29-8-7-19(31)23(29)32)1-6-17(18)15-2-4-16(5-3-15)30-9-10-34-22-20(24(30)33)21(26)27-13-28-22/h1-6,11,13,19,31H,7-10,12H2,(H2,26,27,28)/t19-/m0/s1
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| InChIKey |
GIMSFPMDZZBLFX-IBGZPJMESA-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