General Information of the Compound
| Compound ID |
CP0492370
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| Compound Name |
(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-(2-pyridin-4-ylethyl)piperidin-3-yl]butanamide
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| Structure |
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| Formula |
C22H37N5O2
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| Molecular Weight |
403.571
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| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccncc2)C1)C(C)(C)C
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| InChI |
InChI=1S/C22H37N5O2/c1-16(23-5)20(28)26-19(22(2,3)4)21(29)25-18-7-6-13-27(15-18)14-10-17-8-11-24-12-9-17/h8-9,11-12,16,18-19,23H,6-7,10,13-15H2,1-5H3,(H,25,29)(H,26,28)/t16-,18-,19+/m0/s1
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| InChIKey |
QHBDOQQBLXFBQV-YTQUADARSA-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