General Information of the Compound
| Compound ID |
CP0380632
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| Compound Name |
(S)-4-(1-(1-(pyridin-3-ylmethyl)indoline-7-carboxamido)ethyl)benzoic acid
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| Structure |
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| Formula |
C24H23N3O3
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| Molecular Weight |
401.466
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| Canonical SMILES |
C[C@H](NC(=O)c1cccc2CCN(Cc3cccnc3)c12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C24H23N3O3/c1-16(18-7-9-20(10-8-18)24(29)30)26-23(28)21-6-2-5-19-11-13-27(22(19)21)15-17-4-3-12-25-14-17/h2-10,12,14,16H,11,13,15H2,1H3,(H,26,28)(H,29,30)/t16-/m0/s1
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| InChIKey |
YLOMCTJFMDCDTL-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