General Information of the Compound
| Compound ID |
CP0071876
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| Compound Name |
(5S)-5-benzyl-1-[(2R)-1-cyclohexyl-3-[(2S)-2-[[(6S)-2,3-dioxo-6-propylpiperazin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]-4-(2-phenylethyl)piperazine-2,3-dione
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| Structure |
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| Formula |
C40H55N5O4
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| Molecular Weight |
669.911
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| Canonical SMILES |
CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@@H](CC1CCCCC1)N1C[C@H](Cc2ccccc2)N(CCc2ccccc2)C(=O)C1=O
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| InChI |
InChI=1S/C40H55N5O4/c1-2-13-33-26-41-37(46)38(47)44(33)28-34-20-12-22-42(34)27-35(24-31-16-8-4-9-17-31)45-29-36(25-32-18-10-5-11-19-32)43(39(48)40(45)49)23-21-30-14-6-3-7-15-30/h3,5-7,10-11,14-15,18-19,31,33-36H,2,4,8-9,12-13,16-17,20-29H2,1H3,(H,41,46)/t33-,34-,35+,36-/m0/s1
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| InChIKey |
ZEPWGRQYGKUKNA-KFIZHRIMSA-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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