General Information of the Compound
| Compound ID |
CP0510753
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| Compound Name |
(S)-2-(3,5-dichloroisonicotinamido)-3-(4-(4-phenylpiperazin-1-yl)phenyl)propanoic acid
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| Structure |
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| Formula |
C25H24Cl2N4O3
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| Molecular Weight |
499.398
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| Canonical SMILES |
OC(=O)[C@H](Cc1ccc(cc1)N1CCN(CC1)c1ccccc1)NC(=O)c1c(Cl)cncc1Cl
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| InChI |
InChI=1S/C25H24Cl2N4O3/c26-20-15-28-16-21(27)23(20)24(32)29-22(25(33)34)14-17-6-8-19(9-7-17)31-12-10-30(11-13-31)18-4-2-1-3-5-18/h1-9,15-16,22H,10-14H2,(H,29,32)(H,33,34)/t22-/m0/s1
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| InChIKey |
MYLLZAZDNANPCL-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