General Information of the Compound
| Compound ID |
CP0404531
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| Compound Name |
N-[(E)-[4-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethoxy]naphthalen-1-yl]methylideneamino]-3-chloro-4-hydroxybenzamide
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| Structure |
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| Formula |
C31H29ClN4O4
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| Molecular Weight |
557.05
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCC(=O)NC2CCN(Cc3ccccc3)C2)c2ccccc12
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| InChI |
InChI=1S/C31H29ClN4O4/c32-27-16-22(10-12-28(27)37)31(39)35-33-17-23-11-13-29(26-9-5-4-8-25(23)26)40-20-30(38)34-24-14-15-36(19-24)18-21-6-2-1-3-7-21/h1-13,16-17,24,37H,14-15,18-20H2,(H,34,38)(H,35,39)/b33-17+
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| InChIKey |
TXVKJFBJSQSBSV-ATZGPIRCSA-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