General Information of the Compound
| Compound ID |
CP0138710
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| Compound Name |
(2S)-6-(cyclopropylmethyl)-N-[(1S)-1-[5-(7-methoxy-2-methylquinolin-6-yl)-1,3-oxazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
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| Formula |
C35H46N4O4
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| Molecular Weight |
586.777
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| Canonical SMILES |
CCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC11CCN(CC2CC2)CC1)c1ncc(o1)-c1cc2ccc(C)nc2cc1OC
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| InChI |
InChI=1S/C35H46N4O4/c1-4-26(40)8-6-5-7-9-29(38-33(41)28-20-35(28)14-16-39(17-15-35)22-24-11-12-24)34-36-21-32(43-34)27-18-25-13-10-23(2)37-30(25)19-31(27)42-3/h10,13,18-19,21,24,28-29H,4-9,11-12,14-17,20,22H2,1-3H3,(H,38,41)/t28-,29+/m1/s1
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| InChIKey |
MEXBWEBSXKCCSI-WDYNHAJCSA-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
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3