General Information of the Compound
| Compound ID |
CP0497552
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| Compound Name |
(2S)-N-[(3S)-1-[2-(1H-indol-3-yl)ethyl]piperidin-3-yl]-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanamide
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| Structure |
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| Formula |
C25H39N5O2
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| Molecular Weight |
441.62
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2c[nH]c3ccccc23)C1)C(C)(C)C
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| InChI |
InChI=1S/C25H39N5O2/c1-17(26-5)23(31)29-22(25(2,3)4)24(32)28-19-9-8-13-30(16-19)14-12-18-15-27-21-11-7-6-10-20(18)21/h6-7,10-11,15,17,19,22,26-27H,8-9,12-14,16H2,1-5H3,(H,28,32)(H,29,31)/t17-,19-,22+/m0/s1
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| InChIKey |
YUXKBKWDURSUJP-LQBOVUBWSA-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