General Information of the Compound
| Compound ID |
CP0418990
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| Compound Name |
(S)-2-cyclohexyl-2-(3-(3-(2,6-dichloro-4-(trifluoromethoxy)phenyl)ureido)-2-naphthamido)acetic acid
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| Structure |
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| Formula |
C27H24Cl2F3N3O5
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| Molecular Weight |
598.405
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| Canonical SMILES |
OC(=O)[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)C1CCCCC1
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| InChI |
InChI=1S/C27H24Cl2F3N3O5/c28-19-12-17(40-27(30,31)32)13-20(29)23(19)35-26(39)33-21-11-16-9-5-4-8-15(16)10-18(21)24(36)34-22(25(37)38)14-6-2-1-3-7-14/h4-5,8-14,22H,1-3,6-7H2,(H,34,36)(H,37,38)(H2,33,35,39)/t22-/m0/s1
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| InChIKey |
VELSBWPCKDKOGF-QFIPXVFZSA-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