General Information of the Compound
| Compound ID |
CP0100922
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| Compound Name |
N-[(1R)-2-[[4-(diaminomethylideneamino)phenyl]methylamino]-1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-2-oxoethyl]hexanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C31H34Cl2F3N5O5
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| Molecular Weight |
684.543
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCCCCC(=O)N[C@@H](C(=O)NCc1ccc(NC(N)=N)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C29H33Cl2N5O3.C2HF3O2/c1-2-3-4-5-26(37)36-27(28(38)34-17-19-6-11-22(12-7-19)35-29(32)33)21-9-13-23(14-10-21)39-18-20-8-15-24(30)25(31)16-20;3-2(4,5)1(6)7/h6-16,27H,2-5,17-18H2,1H3,(H,34,38)(H,36,37)(H4,32,33,35);(H,6,7)/t27-;/m1./s1
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| InChIKey |
YICVPOHIJJYJMN-HZPIKELBSA-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