General Information of the Compound
| Compound ID |
CP0949740
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| Compound Name |
(R)-4-Amino-6-(2'-chloro-4'-(2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl)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 |
C25H24ClN5O4
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| Molecular Weight |
493.951
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| Canonical SMILES |
Nc1ncnc2c1C(=O)N(c1ccc(-c3ccc(CC(=O)N4CC[C@@H](O)C4)cc3Cl)cc1)CCO2
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| InChI |
InChI=1S/C25H24ClN5O4/c26-20-11-15(12-21(33)30-8-7-18(32)13-30)1-6-19(20)16-2-4-17(5-3-16)31-9-10-35-24-22(25(31)34)23(27)28-14-29-24/h1-6,11,14,18,32H,7-10,12-13H2,(H2,27,28,29)/t18-/m1/s1
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| InChIKey |
VTNSDPJLVCGQSP-GOSISDBHSA-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