General Information of the Compound
| Compound ID |
CP0478257
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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]-5,6-dichloropyridine-3-carboxamide
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| Structure |
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| Formula |
C30H40Cl2N8O4
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| Molecular Weight |
647.608
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| Canonical SMILES |
NC(=N)NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1cnc(Cl)c(Cl)c1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C30H40Cl2N8O4/c31-21-16-20(17-37-25(21)32)27(42)40-24(15-19-10-5-2-6-11-19)29(44)38-22(12-7-13-36-30(34)35)28(43)39-23(26(33)41)14-18-8-3-1-4-9-18/h1,3-4,8-9,16-17,19,22-24H,2,5-7,10-15H2,(H2,33,41)(H,38,44)(H,39,43)(H,40,42)(H4,34,35,36)/t22-,23-,24-/m0/s1
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| InChIKey |
YNCXCLNBBDANHG-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