General Information of the Compound
| Compound ID |
CP0429506
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| Compound Name |
(2S)-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2S)-2-[[2-[2,3-dihydroxypropyl-[[(2S)-3-phenyl-2-[(2-pyrazolidin-1-ylacetyl)amino]propanoyl]amino]amino]acetyl]amino]-3-phenylpropanoyl]amino]pentanamide
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| Structure |
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| Formula |
C43H60N12O8
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| Molecular Weight |
873.029
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| Canonical SMILES |
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C43H60N12O8/c44-39(60)34(22-29-12-4-1-5-13-29)52-40(61)33(18-10-19-47-43(45)46)51-41(62)35(23-30-14-6-2-7-15-30)49-38(59)27-55(25-32(57)28-56)53-42(63)36(24-31-16-8-3-9-17-31)50-37(58)26-54-21-11-20-48-54/h1-9,12-17,32-36,48,56-57H,10-11,18-28H2,(H2,44,60)(H,49,59)(H,50,58)(H,51,62)(H,52,61)(H,53,63)(H4,45,46,47)/t32?,33-,34-,35-,36-/m0/s1
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| InChIKey |
ODOWPMCPNXGTJN-BICVAKKNSA-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