General Information of the Compound
| Compound ID |
CP0368868
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| Compound Name |
methyl N-[2-(N-[(1S)-2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-3-fluoroanilino)-2-oxoethyl]carbamate
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| Structure |
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| Formula |
C25H30FN3O4
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| Molecular Weight |
455.53
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| Canonical SMILES |
COC(=O)NCC(=O)N([C@H](C(=O)NC1CCCCC1)c1ccccc1C)c1cccc(F)c1
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| InChI |
InChI=1S/C25H30FN3O4/c1-17-9-6-7-14-21(17)23(24(31)28-19-11-4-3-5-12-19)29(20-13-8-10-18(26)15-20)22(30)16-27-25(32)33-2/h6-10,13-15,19,23H,3-5,11-12,16H2,1-2H3,(H,27,32)(H,28,31)/t23-/m0/s1
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| InChIKey |
HUFPYGZRRXUWKV-QHCPKHFHSA-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