General Information of the Compound
| Compound ID |
CP0567755
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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]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-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 |
C69H110N20O16
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| Molecular Weight |
1475.763
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)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(N)=O
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| InChI |
InChI=1S/C69H110N20O16/c1-40(2)33-52(67(104)89-54(39-90)60(72)97)87-63(100)42(4)82-58(95)38-81-61(98)41(3)83-62(99)43(5)84-66(103)51(20-16-32-78-69(73)74)85-59(96)37-80-57(94)23-10-14-30-76-55(92)21-9-13-29-75-56(93)22-11-15-31-77-65(102)50(19-8-12-28-70)86-68(105)53(34-44-24-26-46(91)27-25-44)88-64(101)48(71)35-45-36-79-49-18-7-6-17-47(45)49/h6-7,17-18,24-27,36,40-43,48,50-54,79,90-91H,8-16,19-23,28-35,37-39,70-71H2,1-5H3,(H2,72,97)(H,75,93)(H,76,92)(H,77,102)(H,80,94)(H,81,98)(H,82,95)(H,83,99)(H,84,103)(H,85,96)(H,86,105)(H,87,100)(H,88,101)(H,89,104)(H4,73,74,78)/t41-,42-,43-,48-,50-,51-,52-,53-,54-/m0/s1
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| InChIKey |
HGHNUWUJDKODLA-DDFWIJSPSA-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