General Information of the Compound
| Compound ID |
CP0452218
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| Compound Name |
2-[2-oxo-3-[[(2S)-3-phenyl-2-[(1-pyridin-2-ylcyclopropyl)amino]propanoyl]amino]-5-pyridin-4-ylpyridin-1-yl]acetic acid
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| Structure |
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| Formula |
C29H27N5O4
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| Molecular Weight |
509.566
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| Canonical SMILES |
OC(=O)Cn1cc(cc(NC(=O)[C@H](Cc2ccccc2)NC2(CC2)c2ccccn2)c1=O)-c1ccncc1
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| InChI |
InChI=1S/C29H27N5O4/c35-26(36)19-34-18-22(21-9-14-30-15-10-21)17-24(28(34)38)32-27(37)23(16-20-6-2-1-3-7-20)33-29(11-12-29)25-8-4-5-13-31-25/h1-10,13-15,17-18,23,33H,11-12,16,19H2,(H,32,37)(H,35,36)/t23-/m0/s1
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| InChIKey |
HMKFDOZNUOXRMB-QHCPKHFHSA-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