General Information of the Compound
| Compound ID |
CP0458730
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| Compound Name |
(R)-3-Amino-N-(4-aminomethyl-benzyl)-2-{2-[(2-cyclohexyl-2-phenyl-acetylamino)-methyl]-pyrrol-1-yl}-propionamide
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| Structure |
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| Formula |
C30H39N5O2
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| Molecular Weight |
501.675
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| Canonical SMILES |
NC[C@H](C(=O)NCc1ccc(CN)cc1)n1cccc1CNC(=O)C(C1CCCCC1)c1ccccc1
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| InChI |
InChI=1S/C30H39N5O2/c31-18-22-13-15-23(16-14-22)20-33-29(36)27(19-32)35-17-7-12-26(35)21-34-30(37)28(24-8-3-1-4-9-24)25-10-5-2-6-11-25/h1,3-4,7-9,12-17,25,27-28H,2,5-6,10-11,18-21,31-32H2,(H,33,36)(H,34,37)/t27-,28?/m1/s1
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| InChIKey |
SMXMTUKYUIRBIV-QXPUDEPPSA-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