General Information of the Compound
| Compound ID |
CP0448379
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| Compound Name |
(S)-3-Methyl-2-{pentanoyl-[11-(1H-tetrazol-5-yl)-dibenzo[b,f]oxepin-3-ylmethyl]-amino}-butyric acid
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| Structure |
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| Formula |
C26H29N5O4
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| Molecular Weight |
475.549
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| Canonical SMILES |
CCCCC(=O)N(Cc1ccc2c(Oc3ccccc3C=C2c2nnn[nH]2)c1)[C@@H](C(C)C)C(O)=O
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| InChI |
InChI=1S/C26H29N5O4/c1-4-5-10-23(32)31(24(16(2)3)26(33)34)15-17-11-12-19-20(25-27-29-30-28-25)14-18-8-6-7-9-21(18)35-22(19)13-17/h6-9,11-14,16,24H,4-5,10,15H2,1-3H3,(H,33,34)(H,27,28,29,30)/t24-/m0/s1
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| InChIKey |
HNXNDZMHTAHFIF-DEOSSOPVSA-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