General Information of the Compound
| Compound ID |
CP0480507
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| Compound Name |
N-[(E)-[4-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
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| Structure |
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| Formula |
C28H25ClN4O3
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| Molecular Weight |
500.986
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| Canonical SMILES |
NC(=O)[C@H](Cc1ccccc1)NCc1ccc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C28H25ClN4O3/c29-24-15-19(12-13-26(24)34)28(36)33-32-17-21-11-10-20(22-8-4-5-9-23(21)22)16-31-25(27(30)35)14-18-6-2-1-3-7-18/h1-13,15,17,25,31,34H,14,16H2,(H2,30,35)(H,33,36)/b32-17+/t25-/m0/s1
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| InChIKey |
UBIPOGNVTBFSGH-VURDCNJBSA-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