General Information of the Compound
| Compound ID |
CP0915684
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| Compound Name |
(S)-4-(3,4-Dichloro-benzoylamino)-4-{(S)-1-[4-(3-dimethylamino-propoxy)-benzyl]-pyrrolidin-3-ylcarbamoyl}-butyric acid
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| Structure |
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| Formula |
C28H36Cl2N4O5
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| Molecular Weight |
579.525
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| Canonical SMILES |
CN(C)CCCOc1ccc(CN2CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)c3ccc(Cl)c(Cl)c3)C2)cc1
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| InChI |
InChI=1S/C28H36Cl2N4O5/c1-33(2)13-3-15-39-22-7-4-19(5-8-22)17-34-14-12-21(18-34)31-28(38)25(10-11-26(35)36)32-27(37)20-6-9-23(29)24(30)16-20/h4-9,16,21,25H,3,10-15,17-18H2,1-2H3,(H,31,38)(H,32,37)(H,35,36)/t21-,25-/m0/s1
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| InChIKey |
RKNIENCDWXXRHQ-OFVILXPXSA-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