General Information of the Compound
| Compound ID |
CP0402996
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| Compound Name |
(S)-4-(1-(1-(3-carbamoylbenzyl)indoline-7-carboxamido)ethyl)benzoic acid
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
C[C@H](NC(=O)c1cccc2CCN(Cc3cccc(c3)C(N)=O)c12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H25N3O4/c1-16(18-8-10-20(11-9-18)26(32)33)28-25(31)22-7-3-5-19-12-13-29(23(19)22)15-17-4-2-6-21(14-17)24(27)30/h2-11,14,16H,12-13,15H2,1H3,(H2,27,30)(H,28,31)(H,32,33)/t16-/m0/s1
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| InChIKey |
WWTFBDVIQLCYAL-INIZCTEOSA-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