General Information of the Compound
| Compound ID |
CP0345344
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| Compound Name |
1-[(3R)-6-bromo-3,4-dihydro-2H-chromen-3-yl]-3-[3-chloro-4-(1,2,4-triazol-1-yl)phenyl]urea
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| Formula |
C18H15BrClN5O2
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| Molecular Weight |
448.708
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| Canonical SMILES |
Clc1cc(NC(=O)N[C@H]2COc3ccc(Br)cc3C2)ccc1-n1cncn1
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| InChI |
InChI=1S/C18H15BrClN5O2/c19-12-1-4-17-11(5-12)6-14(8-27-17)24-18(26)23-13-2-3-16(15(20)7-13)25-10-21-9-22-25/h1-5,7,9-10,14H,6,8H2,(H2,23,24,26)/t14-/m1/s1
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| InChIKey |
NZYVCHODXOCYRR-CQSZACIVSA-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