General Information of the Compound
| Compound ID |
CP0463456
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| Compound Name |
N-[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]thiadiazole-4-carboxamide
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| Structure |
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| Formula |
C27H39N9O4S
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| Molecular Weight |
585.735
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1csnn1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C27H39N9O4S/c28-23(37)20(14-17-8-3-1-4-9-17)33-24(38)19(12-7-13-31-27(29)30)32-25(39)21(15-18-10-5-2-6-11-18)34-26(40)22-16-41-36-35-22/h1,3-4,8-9,16,18-21H,2,5-7,10-15H2,(H2,28,37)(H,32,39)(H,33,38)(H,34,40)(H4,29,30,31)/t19-,20-,21-/m0/s1
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| InChIKey |
HJLVSXVVPFMPIS-ACRUOGEOSA-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