General Information of the Compound
| Compound ID |
CP0530312
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| Compound Name |
(2S,3S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[[(2S,3S)-3-methyl-2-[[(2S)-4-methyl-2-(3-methylbutanoylamino)pentanoyl]amino]pentanoyl]amino]acetyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanamide
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| Structure |
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| Formula |
C37H70N10O7
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| Molecular Weight |
767.03
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CC(C)C)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C37H70N10O7/c1-11-23(9)30(32(38)50)46-35(53)27(17-21(5)6)45-33(51)25(14-13-15-41-37(39)40)43-29(49)19-42-36(54)31(24(10)12-2)47-34(52)26(16-20(3)4)44-28(48)18-22(7)8/h20-27,30-31H,11-19H2,1-10H3,(H2,38,50)(H,42,54)(H,43,49)(H,44,48)(H,45,51)(H,46,53)(H,47,52)(H4,39,40,41)/t23-,24-,25-,26-,27-,30-,31-/m0/s1
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| InChIKey |
VLRWUAALAMAZMW-FPDJDMDVSA-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