General Information of the Compound
| Compound ID |
CP0402339
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| Compound Name |
3-chloro-N-[(1R)-1-cyclohexyl-2-[3-[2-(methylamino)-2-oxoethyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl]-2-oxoethyl]benzamide
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| Structure |
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| Formula |
C31H38ClN5O4
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| Molecular Weight |
580.129
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| Canonical SMILES |
CNC(=O)CN1CN(c2ccccc2)C2(CCN(CC2)C(=O)[C@H](NC(=O)c2cccc(Cl)c2)C2CCCCC2)C1=O
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| InChI |
InChI=1S/C31H38ClN5O4/c1-33-26(38)20-36-21-37(25-13-6-3-7-14-25)31(30(36)41)15-17-35(18-16-31)29(40)27(22-9-4-2-5-10-22)34-28(39)23-11-8-12-24(32)19-23/h3,6-8,11-14,19,22,27H,2,4-5,9-10,15-18,20-21H2,1H3,(H,33,38)(H,34,39)/t27-/m1/s1
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| InChIKey |
BUIWZGNMNJUICS-HHHXNRCGSA-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