General Information of the Compound
| Compound ID |
CP0477214
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| Compound Name |
(S)-4-(1-(1-(4-tert-butylbenzyl)indoline-7-carboxamido)ethyl)benzoic acid
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| Structure |
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| Formula |
C29H32N2O3
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| Molecular Weight |
456.586
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| Canonical SMILES |
C[C@H](NC(=O)c1cccc2CCN(Cc3ccc(cc3)C(C)(C)C)c12)c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H32N2O3/c1-19(21-10-12-23(13-11-21)28(33)34)30-27(32)25-7-5-6-22-16-17-31(26(22)25)18-20-8-14-24(15-9-20)29(2,3)4/h5-15,19H,16-18H2,1-4H3,(H,30,32)(H,33,34)/t19-/m0/s1
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| InChIKey |
QZFHXHKGIXDUTO-IBGZPJMESA-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