General Information of the Compound
| Compound ID |
CP0378008
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| Compound Name |
4-(2-((R)-4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethyl)-7-chloro-6-methoxy-3,4-dihydroquinazolin-2(1H)-one
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| Structure |
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| Formula |
C23H26ClFN4O3
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| Molecular Weight |
460.937
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| Canonical SMILES |
COc1cc2C(CC(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)NC(=O)Nc2cc1Cl
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| InChI |
InChI=1S/C23H26ClFN4O3/c1-14-12-28(13-15-3-5-16(25)6-4-15)7-8-29(14)22(30)11-20-17-9-21(32-2)18(24)10-19(17)26-23(31)27-20/h3-6,9-10,14,20H,7-8,11-13H2,1-2H3,(H2,26,27,31)/t14-,20?/m1/s1
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| InChIKey |
OUKHLBLXSGFDPK-QMRFKDRMSA-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