General Information of the Compound
| Compound ID |
CP0554695
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| Compound Name |
6-[3-[2-[(3-chlorophenyl)methylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
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| Structure |
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| Formula |
C24H22ClN5O3
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| Molecular Weight |
463.925
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| Canonical SMILES |
Clc1cccc(CNc2ncc3CN(CCc3n2)C(=O)CCc2ccc3[nH]c(=O)oc3c2)c1
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| InChI |
InChI=1S/C24H22ClN5O3/c25-18-3-1-2-16(10-18)12-26-23-27-13-17-14-30(9-8-19(17)28-23)22(31)7-5-15-4-6-20-21(11-15)33-24(32)29-20/h1-4,6,10-11,13H,5,7-9,12,14H2,(H,29,32)(H,26,27,28)
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| InChIKey |
XJUBAULHEIZVMB-UHFFFAOYSA-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