General Information of the Compound
| Compound ID |
CP0369204
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| Compound Name |
N-[(1S)-2-[[4-(diaminomethylideneamino)phenyl]methylamino]-2-oxo-1-(4-phenylmethoxyphenyl)ethyl]heptanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C32H38F3N5O5
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| Molecular Weight |
629.68
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCCCCCC(=O)N[C@H](C(=O)NCc1ccc(NC(N)=N)cc1)c1ccc(OCc2ccccc2)cc1
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| InChI |
InChI=1S/C30H37N5O3.C2HF3O2/c1-2-3-4-8-11-27(36)35-28(29(37)33-20-22-12-16-25(17-13-22)34-30(31)32)24-14-18-26(19-15-24)38-21-23-9-6-5-7-10-23;3-2(4,5)1(6)7/h5-7,9-10,12-19,28H,2-4,8,11,20-21H2,1H3,(H,33,37)(H,35,36)(H4,31,32,34);(H,6,7)/t28-;/m0./s1
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| InChIKey |
DRDUEROJUGTORV-JCOPYZAKSA-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