General Information of the Compound
| Compound ID |
CP0391523
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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]-2-chloropyridine-3-carboxamide
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| Structure |
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| Formula |
C30H41ClN8O4
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| Molecular Weight |
613.163
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cccnc1Cl)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C30H41ClN8O4/c31-25-21(13-7-15-35-25)27(41)39-24(18-20-11-5-2-6-12-20)29(43)37-22(14-8-16-36-30(33)34)28(42)38-23(26(32)40)17-19-9-3-1-4-10-19/h1,3-4,7,9-10,13,15,20,22-24H,2,5-6,8,11-12,14,16-18H2,(H2,32,40)(H,37,43)(H,38,42)(H,39,41)(H4,33,34,36)/t22-,23-,24-/m0/s1
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| InChIKey |
YTXAONJZBFMRPN-HJOGWXRNSA-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