General Information of the Compound
| Compound ID |
CP0955724
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| Compound Name |
(+/-)-(1R*,3S*)-6-Amino-3-(4'-chloro-3-(1H-1,2,4-triazol-5-yl)-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)-2-fluoro-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C22H23ClFN7O
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| Molecular Weight |
455.925
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| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)[C@]2(CC[C@H](c4ncn[nH]4)C2)CN3)c1F
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| InChI |
InChI=1S/C22H23ClFN7O/c1-31(2)21(32)15-14(25)4-3-12(18(15)24)13-8-26-20-16(17(13)23)22(9-27-20)6-5-11(7-22)19-28-10-29-30-19/h3-4,8,10-11H,5-7,9,25H2,1-2H3,(H,26,27)(H,28,29,30)/t11-,22-/m0/s1
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| InChIKey |
WIGROTXXZJZZAY-SAHAZLINSA-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