General Information of the Compound
| Compound ID |
CP0383126
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| Compound Name |
N-((1R,3r,5S)-8-((4-aminopiperidin-1-yl)sulfonyl)-8-azabicyclo[3.2.1]octan-3-yl)-6-methyl-2-oxoindoline-5-carboxamide
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| Formula |
C22H31N5O4S
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| Molecular Weight |
461.588
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| Canonical SMILES |
Cc1cc2NC(=O)Cc2cc1C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CCC(N)CC1
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| InChI |
InChI=1S/C22H31N5O4S/c1-13-8-20-14(10-21(28)25-20)9-19(13)22(29)24-16-11-17-2-3-18(12-16)27(17)32(30,31)26-6-4-15(23)5-7-26/h8-9,15-18H,2-7,10-12,23H2,1H3,(H,24,29)(H,25,28)/t16-,17+,18-
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| InChIKey |
QVMRWCDKIABESJ-BCDXTJNWSA-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