General Information of the Compound
| Compound ID |
CP0442450
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| Compound Name |
(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanamide
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| Structure |
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| Formula |
C35H67N11O8
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| Molecular Weight |
769.99
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| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)CC)C(N)=O
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| InChI |
InChI=1S/C35H67N11O8/c1-9-20(7)27(29(37)49)45-32(52)25(15-19(5)6)44-31(51)23(12-11-13-40-35(38)39)42-26(48)16-41-34(54)28(21(8)10-2)46-33(53)24(14-18(3)4)43-30(50)22(36)17-47/h18-25,27-28,47H,9-17,36H2,1-8H3,(H2,37,49)(H,41,54)(H,42,48)(H,43,50)(H,44,51)(H,45,52)(H,46,53)(H4,38,39,40)/t20-,21-,22-,23-,24-,25-,27-,28-/m0/s1
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| InChIKey |
ONPGYKAMBYVRND-IOYLNEAKSA-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