General Information of the Compound
| Compound ID |
CP0524958
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| Compound Name |
N-[(2R)-3-(1-benzothiophen-3-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]-4-oxo-2-pyridin-4-yl-1,3,8-triazaspiro[4.5]dec-1-ene-8-carboxamide
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| Structure |
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| Formula |
C34H41N7O3S
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| Molecular Weight |
627.815
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| Canonical SMILES |
O=C(N[C@H](Cc1csc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC2(CC1)N=C(NC2=O)c1ccncc1
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| InChI |
InChI=1S/C34H41N7O3S/c42-31(40-18-10-26(11-19-40)39-16-4-1-5-17-39)28(22-25-23-45-29-7-3-2-6-27(25)29)36-33(44)41-20-12-34(13-21-41)32(43)37-30(38-34)24-8-14-35-15-9-24/h2-3,6-9,14-15,23,26,28H,1,4-5,10-13,16-22H2,(H,36,44)(H,37,38,43)/t28-/m1/s1
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| InChIKey |
QFAKOKVWYSUHTO-MUUNZHRXSA-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