General Information of the Compound
| Compound ID |
CP0567754
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| Compound Name |
(2S)-6-amino-N-[5-[[5-[[5-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentyl]amino]-5-oxopentyl]amino]-5-oxopentyl]-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanamide
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| Structure |
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| Formula |
C66H103N17O17
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| Molecular Weight |
1406.652
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)CCCCNC(=O)CCCCNC(=O)CCCCNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(N)=O
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| InChI |
InChI=1S/C66H103N17O17/c1-38(2)30-49(64(98)83-52(37-85)66(100)82-51(36-84)58(69)92)79-57(91)35-75-59(93)39(3)77-61(95)41(5)78-60(94)40(4)76-56(90)34-74-55(89)21-10-14-28-71-53(87)19-9-13-27-70-54(88)20-11-15-29-72-63(97)48(18-8-12-26-67)80-65(99)50(31-42-22-24-44(86)25-23-42)81-62(96)46(68)32-43-33-73-47-17-7-6-16-45(43)47/h6-7,16-17,22-25,33,38-41,46,48-52,73,84-86H,8-15,18-21,26-32,34-37,67-68H2,1-5H3,(H2,69,92)(H,70,88)(H,71,87)(H,72,97)(H,74,89)(H,75,93)(H,76,90)(H,77,95)(H,78,94)(H,79,91)(H,80,99)(H,81,96)(H,82,100)(H,83,98)/t39-,40-,41-,46-,48-,49-,50-,51-,52-/m0/s1
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| InChIKey |
BNWNTHFIJFLRTN-NVXZHWOTSA-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