General Information of the Compound
| Compound ID |
CP0391450
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| Compound Name |
(S)-2-{(2S,3S)-2-[(S)-2-({(S)-1-[(S)-2-Azido-5-(2-piperazin-1-yl-ethylamino)-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid
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| Structure |
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| Formula |
C37H60N10O7
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| Molecular Weight |
756.95
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNCCN1CCNCC1)N=[N+]=[N-])C(=O)N[C@@H](CC(C)C)C(O)=O
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| InChI |
InChI=1S/C37H60N10O7/c1-5-25(4)32(35(51)42-30(37(53)54)22-24(2)3)43-33(49)29(23-26-10-12-27(48)13-11-26)41-34(50)31-9-7-18-47(31)36(52)28(44-45-38)8-6-14-39-15-19-46-20-16-40-17-21-46/h10-13,24-25,28-32,39-40,48H,5-9,14-23H2,1-4H3,(H,41,50)(H,42,51)(H,43,49)(H,53,54)/t25-,28-,29-,30-,31-,32-/m0/s1
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| InChIKey |
DFQQXMKBOBUIDP-YBEDAUBBSA-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