General Information of the Compound
| Compound ID |
CP0064094
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| Compound Name |
N-[(2S,3R)-4-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]-3-(2-oxopyrrolidin-1-yl)-5-propylbenzamide
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| Structure |
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| Formula |
C33H46N4O4
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| Molecular Weight |
562.755
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| Canonical SMILES |
CCCc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@@H](C)C(=O)NC1CCCCC1)N1CCCC1=O
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| InChI |
InChI=1S/C33H46N4O4/c1-3-11-25-18-26(21-28(19-25)37-17-10-16-31(37)39)33(41)36-29(20-24-12-6-4-7-13-24)30(38)22-34-23(2)32(40)35-27-14-8-5-9-15-27/h4,6-7,12-13,18-19,21,23,27,29-30,34,38H,3,5,8-11,14-17,20,22H2,1-2H3,(H,35,40)(H,36,41)/t23-,29-,30+/m0/s1
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| InChIKey |
WQAFOQHZNVQHFW-KEPSJGTLSA-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